data_2axd_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 2axd _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 ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.92 -48.16 73.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.106 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.919 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -30.78 44.47 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 125.143 1.527 . . . . 0.0 111.726 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.44 -37.14 71.45 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.685 1.231 . . . . 0.0 110.643 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.24 -38.3 67.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 CA-C-N 113.468 -1.696 . . . . 0.0 112.022 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . 0.566 ' HB3' ' HE2' ' S' ' 59' ' ' HIS . 0.0 OUTLIER -64.28 -39.83 94.74 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.687 -177.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.76 -44.64 90.66 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.297 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.79 87.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.541 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.1 77.88 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.711 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.71 94.51 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.102 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.1 -38.7 56.51 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 113.141 -1.845 . . . . 0.0 112.326 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.34 -26.71 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 118.629 -1.229 . . . . 0.0 111.733 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.6 -16.34 63.38 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.607 -1.178 . . . . 0.0 111.401 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.97 -4.9 10.76 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.409 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.25 -25.31 47.34 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 171.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.84 -35.97 82.37 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 116.105 -2.238 . . . . 0.0 110.434 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.58 32.67 0.71 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 112.713 -2.04 . . . . 0.0 109.99 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -66.2 -3.24 5.31 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.425 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -58.71 -20.09 45.79 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 117.93 -1.508 . . . . 0.0 111.18 165.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.99 169.04 7.15 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.45 126.53 9.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.109 1.206 . . . . 0.0 113.451 -168.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.68 124.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 mt -110.97 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.097 0.873 . . . . 0.0 109.697 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -32.25 64.18 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.624 -1.626 . . . . 0.0 112.689 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -44.57 93.91 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.936 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.6 -57.33 7.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.113 -168.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -49.29 -47.59 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 113.261 -1.791 . . . . 0.0 112.227 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.91 -44.37 86.77 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.059 -1.056 . . . . 0.0 111.41 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -78.28 -21.5 49.66 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.275 -1.33 . . . . 0.0 111.879 -174.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.44 -34.79 72.86 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.309 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -71.48 128.48 89.9 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.823 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.13 118.67 5.56 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 113.911 0.696 . . . . 0.0 113.911 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -44.57 -31.68 1.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.024 -1.444 . . . . 0.0 114.115 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -47.46 -48.21 26.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.14 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.3 29.1 6.28 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.353 -1.749 . . . . 0.0 110.355 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -49.18 -38.24 25.14 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.183 0.992 . . . . 0.0 113.27 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -52.44 -43.63 65.01 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.457 -1.702 . . . . 0.0 112.047 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -54.7 -42.66 71.72 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.066 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.2 -43.74 98.16 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 118.769 -1.172 . . . . 0.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -53.06 61.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.326 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.3 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.688 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.406 ' HD2' ' OD1' ' S' ' 19' ' ' ASP . 0.1 OUTLIER -61.3 -31.21 71.04 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.812 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -45.39 84.02 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.539 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mp -58.1 -43.11 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 118.935 -1.106 . . . . 0.0 110.722 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.89 92.25 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.318 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . 0.566 ' HE2' ' HB3' ' S' ' 19' ' ' ASP . 78.5 m-70 -71.79 -26.14 62.3 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 113.845 -1.525 . . . . 0.0 112.237 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.27 -47.27 83.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.464 1.102 . . . . 0.0 108.746 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -47.67 72.93 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 125.053 1.471 . . . . 0.0 110.409 176.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.69 66.35 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.576 -1.647 . . . . 0.0 112.598 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -77.96 -45.98 22.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 118.232 -1.387 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.17 -29.49 36.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.869 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.884 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.208 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 80.5 mtp . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 121.561 0.696 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -49.18 -41.25 36.07 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.712 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.52 -44.62 93.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.301 -1.772 . . . . 0.0 110.701 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -37.75 81.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 118.374 -1.331 . . . . 0.0 110.362 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -58.87 -41.51 87.22 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.576 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.3 -31.95 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.135 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.49 -45.33 94.68 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.109 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.49 64.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 113.272 -1.785 . . . . 0.0 110.246 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.81 54.24 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.738 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.98 80.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.39 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.01 79.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.928 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.37 -28.71 55.72 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 113.912 -1.494 . . . . 0.0 112.695 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -67.58 -33.22 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 119.215 -0.994 . . . . 0.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.17 66.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.239 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.95 -6.84 3.12 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.868 172.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -50.2 -24.86 3.1 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 170.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -36.67 68.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 117.304 -1.759 . . . . 0.0 110.58 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -87.64 26.6 1.26 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.079 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.41 -2.04 2.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.827 0.822 . . . . 0.0 113.148 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -53.84 -25.74 21.09 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.161 166.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.5 mmm -111.21 166.08 11.49 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.152 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.94 112.1 3.32 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 120.302 0.668 . . . . 0.0 112.654 -167.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.86 119.16 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 113.901 -1.499 . . . . 0.0 108.446 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mt -101.73 100.79 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.53 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.51 79.57 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.011 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.64 -37.91 52.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.917 -175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.38 66.4 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.393 -1.731 . . . . 0.0 111.429 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.47 -43.83 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 122.3 1.048 . . . . 0.0 111.374 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -68.79 -33.66 74.24 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.385 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -71.29 -34.29 70.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.953 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -74.57 -29.57 61.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.627 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -117.39 92.56 40.67 Favored Pre-proline 0 CA--C 1.554 1.107 0 O-C-N 124.104 0.878 . . . . 0.0 110.333 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -53.57 152.04 22.61 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.306 2.004 . . . . 0.0 116.207 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -48.51 -23.75 1.07 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.537 -1.665 . . . . 0.0 114.475 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -23.08 13.85 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 pp -116.05 25.17 10.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.884 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . 0.499 ' HD3' HH12 ' S' ' 53' ' ' ARG . 0.0 OUTLIER -55.37 -31.0 61.41 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.4 p -66.16 -48.77 69.68 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.615 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -57.22 -51.44 69.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.554 -1.657 . . . . 0.0 110.373 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -57.45 -41.32 80.27 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.294 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . 0.499 HH12 ' HD3' ' S' ' 49' ' ' ARG . 0.0 OUTLIER -56.28 -59.07 5.47 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.976 178.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.89 -41.92 78.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.763 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -38.52 90.02 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.026 -1.897 . . . . 0.0 111.764 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -42.16 45.02 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.954 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.7 -35.06 63.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.118 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.67 71.47 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 123.161 1.457 . . . . 0.0 110.456 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -74.57 -36.86 63.05 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.124 -170.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -59.72 -43.54 94.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.133 -1.427 . . . . 0.0 110.335 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.92 -49.99 71.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.263 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.65 76.63 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.853 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -60.61 -48.75 80.39 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.633 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.26 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.858 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 118.032 -1.467 . . . . 0.0 111.47 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 13.1 mmt . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 120.754 0.311 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -55.79 -44.51 77.83 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.023 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -60.87 -39.38 88.98 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.288 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.47 -32.78 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.323 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.2 -46.21 89.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.084 0.945 . . . . 0.0 109.155 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.44 -39.04 73.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.372 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.71 -27.27 64.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.414 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 -58.37 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 126.554 2.409 . . . . 0.0 110.658 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.5 -43.25 75.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.839 1.304 . . . . 0.0 111.846 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -14.03 46.01 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.755 -2.021 . . . . 0.0 112.573 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.06 23.81 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 121.766 0.793 . . . . 0.0 110.123 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.82 57.27 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.966 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.71 -41.27 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.405 -1.397 . . . . 0.0 111.734 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.87 59.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 113.934 -1.485 . . . . 0.0 110.408 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -62.42 0.93 0.4 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 113.822 -1.535 . . . . 0.0 112.834 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -45.28 -32.7 2.08 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . 0.416 ' C ' ' HE ' ' S' ' 30' ' ' ARG . 1.4 mp0 -66.73 -9.96 41.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 116.832 -1.947 . . . . 0.0 112.025 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . 0.416 ' HE ' ' C ' ' S' ' 29' ' ' GLU . 0.0 OUTLIER -112.26 28.7 8.54 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.595 1.558 . . . . 0.0 109.138 175.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -70.63 5.04 2.04 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.271 1.034 . . . . 0.0 113.021 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -61.93 -16.8 53.75 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.801 160.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.92 148.73 39.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -63.11 116.97 3.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 120.788 0.992 . . . . 0.0 113.139 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.82 97.97 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 122.915 1.34 . . . . 0.0 108.901 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.51 91.71 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.653 -1.612 . . . . 0.0 109.676 -173.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.21 17.72 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 113.528 -1.669 . . . . 0.0 114.045 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -46.34 56.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.084 0.945 . . . . 0.0 110.517 173.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.01 90.45 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.01 -161.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -47.06 -39.54 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.547 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.88 -11.56 58.1 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.383 -173.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -86.14 -45.35 11.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.207 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.88 -46.65 80.9 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.125 -1.852 . . . . 0.0 111.861 -175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 135.36 91.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.217 -170.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.75 124.78 16.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 1.1 . . . . 0.0 114.403 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.73 -29.37 62.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.64 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -70.51 11.05 0.39 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.55 34.01 0.7 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.309 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.81 -46.72 10.79 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.239 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -49.6 -42.38 44.47 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.195 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -65.22 -41.4 94.45 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.105 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.87 -43.79 97.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.514 -1.675 . . . . 0.0 110.432 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -62.75 -45.53 92.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.635 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -53.73 -50.55 65.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.244 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -66.53 -31.08 71.58 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 112.216 -2.265 . . . . 0.0 112.008 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -46.46 87.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.226 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.47 -52.46 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.902 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.06 63.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.065 -1.88 . . . . 0.0 111.832 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -74.98 -22.54 58.49 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 113.484 -1.689 . . . . 0.0 112.413 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -66.76 -48.01 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 117.055 -1.858 . . . . 0.0 109.129 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.77 -45.0 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.861 -1.972 . . . . 0.0 111.712 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.33 98.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.601 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.52 -171.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 24.1 m -64.87 -49.05 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 118.04 -1.464 . . . . 0.0 110.502 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 CA--C 1.548 0.9 0 C-N-CA 117.615 -1.634 . . . . 0.0 112.183 -177.525 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.5 mmm . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 122.751 1.262 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -51.28 -44.23 61.79 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.651 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -54.95 -49.61 70.93 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.574 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 m -67.89 -36.52 75.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 C-N-CA 119.106 -1.038 . . . . 0.0 111.645 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.27 -48.66 78.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.355 1.074 . . . . 0.0 111.047 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.82 -32.97 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.298 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.37 -45.15 92.22 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.362 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -52.71 58.48 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.018 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -54.34 48.16 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.097 -1.865 . . . . 0.0 112.001 -172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -43.92 88.24 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.411 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.62 76.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.379 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -35.86 63.1 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.901 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 t -70.63 -25.62 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 118.651 -1.219 . . . . 0.0 111.616 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -19.74 65.23 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.197 0.999 . . . . 0.0 111.34 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.63 -4.67 4.4 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.613 -1.63 . . . . 0.0 112.007 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.84 -24.54 62.2 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -68.9 -33.91 74.55 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 117.193 -1.803 . . . . 0.0 110.51 172.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -86.81 19.41 2.98 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.495 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.19 6.35 0.77 Allowed 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.401 1.096 . . . . 0.0 112.87 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.06 -27.66 61.89 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 118.062 -1.455 . . . . 0.0 110.607 160.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtm -112.7 177.09 1.26 Allowed Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.218 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.8 125.78 20.24 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 121.216 1.277 . . . . 0.0 115.058 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.87 136.42 47.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 166.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mt -95.62 90.78 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 118.752 -1.179 . . . . 0.0 109.216 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.62 -19.94 64.28 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 113.659 -1.609 . . . . 0.0 113.056 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -35.0 65.44 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.834 0.825 . . . . 0.0 110.696 173.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.37 77.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.039 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 m -40.84 -50.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 O-C-N 124.967 1.417 . . . . 0.0 112.114 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.38 -37.37 66.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.656 -1.611 . . . . 0.0 110.744 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -78.72 -21.3 48.28 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.684 -1.143 . . . . 0.0 112.025 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -78.82 -25.17 44.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.551 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -101.59 91.04 2.02 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.241 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.85 146.87 84.4 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 N-CA-C 108.002 -1.576 . . . . 0.0 108.002 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -49.44 -27.35 4.1 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.912 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -13.23 22.38 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.77 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -151.15 23.94 0.73 Allowed 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.734 0.647 . . . . 0.0 112.158 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -52.6 -36.48 56.31 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.231 1.015 . . . . 0.0 112.852 -168.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -58.68 -47.44 84.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.089 -1.868 . . . . 0.0 111.798 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -57.92 -52.39 65.68 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.374 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.3 -52.35 63.74 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.906 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.502 -171.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -45.26 81.6 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 122.774 1.273 . . . . 0.0 109.751 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.433 ' CG ' HH11 ' S' ' 55' ' ' ARG . 0.0 OUTLIER -61.03 -33.35 73.15 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 113.023 -1.899 . . . . 0.0 111.591 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -43.96 66.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.115 0.885 . . . . 0.0 110.802 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -62.57 -51.36 73.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.419 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.76 65.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.652 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -79.16 -27.68 42.73 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.488 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.78 -45.41 89.85 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.349 -1.34 . . . . 0.0 109.541 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.24 -33.67 76.27 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.491 -1.686 . . . . 0.0 110.625 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.07 87.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.255 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -77.2 -19.06 57.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.768 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.86 -46.43 17.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 125.998 2.061 . . . . 0.0 109.883 166.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.778 0 C-N-CA 118.684 -1.206 . . . . 0.0 112.66 -173.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.59 -38.15 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.742 0.782 . . . . 0.0 112.197 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -58.16 -36.16 72.61 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.32 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -42.67 45.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.038 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -43.53 61.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.951 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.09 -44.41 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 112.954 -1.93 . . . . 0.0 111.818 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . 0.445 ' CB ' ' HE2' ' S' ' 59' ' ' HIS . 0.0 OUTLIER -60.9 -42.38 97.93 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.935 -178.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -48.19 47.92 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.443 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.17 86.86 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.574 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.73 77.01 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.747 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.35 75.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.032 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.98 -36.02 71.68 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.564 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . 0.442 ' CG2' HG21 ' S' ' 40' ' ' VAL . 2.2 t -70.78 -35.17 59.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 114.272 -0.964 . . . . 0.0 110.38 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.15 83.72 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 116.869 -1.932 . . . . 0.0 109.746 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.31 17.15 0.2 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 112.258 -2.246 . . . . 0.0 112.765 175.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -10.18 5.69 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 171.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.09 -15.1 8.22 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.096 168.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -61.95 14.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.934 163.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.42 -14.74 62.6 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.405 1.457 . . . . 0.0 112.455 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -13.82 60.94 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 122.356 1.074 . . . . 0.0 111.073 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtm -126.93 -161.8 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -99.05 129.3 0.19 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 120.966 1.111 . . . . 0.0 112.041 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 p -152.06 109.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.564 171.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -85.65 89.98 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.651 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.45 -62.16 1.79 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.92 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -46.12 -43.13 14.61 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.597 -1.183 . . . . 0.0 113.718 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.88 62.24 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.935 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' S' ' 25' ' ' VAL . 2.2 p -54.36 -42.36 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 122.649 1.214 . . . . 0.0 112.006 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.79 -46.23 79.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.392 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -65.8 -27.11 68.02 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.246 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.25 -35.57 81.45 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.634 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -89.34 116.94 67.64 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.142 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -40.01 121.5 0.97 Allowed 'Trans proline' 0 CA--C 1.549 1.271 0 N-CA-C 115.633 1.359 . . . . 0.0 115.633 166.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.25 -24.17 10.64 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.468 -1.696 . . . . 0.0 113.544 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -27.03 11.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.569 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.81 38.92 3.01 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.208 177.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -57.04 -30.95 64.68 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.436 1.113 . . . . 0.0 112.174 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.0 m -55.19 -31.16 61.18 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.497 -1.683 . . . . 0.0 114.261 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -64.93 -47.3 78.18 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.141 1.525 . . . . 0.0 108.459 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.52 -50.06 75.39 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.97 -1.923 . . . . 0.0 110.871 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.6 -50.57 59.93 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 112.538 -2.119 . . . . 0.0 110.283 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -45.22 89.83 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 118.043 -1.463 . . . . 0.0 110.094 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.55 68.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 112.843 -1.981 . . . . 0.0 111.306 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -47.18 77.28 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 124.118 0.886 . . . . 0.0 110.687 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.28 -41.27 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.406 1.066 . . . . 0.0 109.823 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.32 95.96 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.522 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . 0.445 ' HE2' ' CB ' ' S' ' 19' ' ' ASP . 23.5 m-70 -68.46 -42.06 79.32 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.526 -175.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -31.21 72.32 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 117.287 -1.765 . . . . 0.0 110.245 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -44.07 82.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 122.489 1.138 . . . . 0.0 110.118 176.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.3 -37.27 72.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.197 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -59.23 -61.43 2.64 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.274 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -32.44 51.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.763 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.635 -178.628 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 121.4 0.619 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -54.9 -23.74 20.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 119.381 -0.928 . . . . 0.0 112.75 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . 0.482 ' HZ2' ' N ' ' S' ' 15' ' ' LYS . 3.0 mmpm? -66.65 -34.67 78.4 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.814 178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.72 -40.88 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.385 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.56 -41.87 70.31 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.552 -1.203 . . . . 0.0 111.831 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.73 -43.66 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.303 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.01 -48.82 77.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.98 -41.77 99.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.655 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.98 79.24 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.263 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.41 78.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.64 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -36.28 80.18 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.687 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.94 -39.74 69.86 Favored Glycine 0 CA--C 1.538 1.502 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.923 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.11 -33.25 62.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.04 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.01 -19.42 64.33 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 121.67 0.748 . . . . 0.0 112.367 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -68.19 -3.43 10.59 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.677 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -13.8 5.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -74.97 -36.75 62.03 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.932 1.348 . . . . 0.0 110.483 170.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -89.21 17.88 5.59 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.638 -2.074 . . . . 0.0 110.76 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.13 1.6 0.69 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.56 -22.05 66.05 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.809 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mmt -108.8 167.08 9.69 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 113.296 -1.774 . . . . 0.0 106.244 169.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.96 116.52 4.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 120.199 0.6 . . . . 0.0 112.107 -170.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 p -144.05 117.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.215 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.92 94.31 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.753 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.9 -9.68 40.63 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 113.795 -1.548 . . . . 0.0 112.966 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.63 -27.4 62.12 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.074 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.15 -40.85 61.98 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.048 0.843 . . . . 0.0 111.913 -165.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -57.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.472 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.555 172.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.1 -41.87 97.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.181 -171.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.97 -35.69 80.52 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.672 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.12 22.67 9.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.622 -1.627 . . . . 0.0 110.312 -174.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.23 103.06 53.1 Favored Pre-proline 0 C--N 1.346 0.422 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -57.69 124.58 16.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 N-CA-C 109.905 -0.844 . . . . 0.0 109.905 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.91 30.12 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.856 1.313 . . . . 0.0 112.157 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -59.36 -26.38 65.03 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.896 -2.411 . . . . 0.0 113.056 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 46.52 1.68 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.943 0.877 . . . . 0.0 110.957 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -58.1 -32.35 68.01 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 117.554 -1.659 . . . . 0.0 112.638 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.7 p -62.6 -35.94 81.16 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.411 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.62 -47.95 83.57 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.781 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -52.95 60.11 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 126.042 2.089 . . . . 0.0 109.976 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -50.57 -56.71 10.48 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.705 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.62 -41.92 82.28 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.27 0.981 . . . . 0.0 110.659 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.38 74.93 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 118.454 -1.298 . . . . 0.0 111.199 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -40.19 64.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.245 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.71 -44.34 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 118.973 -1.091 . . . . 0.0 109.759 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.05 84.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.243 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -74.23 -25.82 59.88 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 113.206 -1.816 . . . . 0.0 112.768 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -66.87 -46.58 74.54 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.741 172.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.7 -46.26 70.67 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.295 1.622 . . . . 0.0 109.656 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.91 91.71 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.369 -1.741 . . . . 0.0 112.256 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -51.71 67.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 118.789 -1.165 . . . . 0.0 111.404 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.39 -31.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.156 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.543 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.118 0.485 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -46.42 -38.91 9.67 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -57.67 -42.73 84.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.18 -39.84 79.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 117.495 -1.682 . . . . 0.0 109.682 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -57.1 -45.69 83.19 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.915 -1.493 . . . . 0.0 110.218 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.07 -34.93 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 112.856 -1.974 . . . . 0.0 111.698 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -63.61 -41.17 98.33 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 122.041 0.924 . . . . 0.0 110.323 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.99 -38.02 87.42 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.335 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.1 70.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.336 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -27.68 64.2 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.652 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.17 63.89 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.528 0.68 . . . . 0.0 110.33 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.78 67.9 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.583 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.53 -49.84 80.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.85 176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -43.48 29.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.431 1.11 . . . . 0.0 112.133 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -59.08 -5.12 0.6 Allowed 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 111.582 -2.554 . . . . 0.0 113.945 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -16.24 5.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 164.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.53 -28.54 68.5 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.455 1.122 . . . . 0.0 111.105 173.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -102.66 36.39 2.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.806 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.16 -17.33 6.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.34 76.17 3.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 117.623 -1.631 . . . . 0.0 108.437 160.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mtm 152.28 151.27 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 131.472 3.909 . . . . 0.0 105.024 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.64 121.67 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 120.854 1.036 . . . . 0.0 112.482 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.8 113.4 22.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -83.93 74.63 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.122 -169.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.54 52.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 113.608 -1.633 . . . . 0.0 113.717 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.61 -35.0 79.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 119.162 -1.015 . . . . 0.0 112.399 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -22.89 66.56 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.816 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.67 -29.78 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.679 -173.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -88.6 -12.71 41.86 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.892 -1.504 . . . . 0.0 112.249 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -99.9 -39.77 8.01 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.22 0.95 . . . . 0.0 110.674 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.25 -46.09 88.5 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.523 -1.672 . . . . 0.0 109.878 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -65.84 109.66 3.49 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 112.006 -2.361 . . . . 0.0 110.719 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -78.39 139.98 16.87 Favored 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-O 121.952 0.73 . . . . 0.0 111.325 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -35.95 0.63 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 113.683 -1.599 . . . . 0.0 114.897 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.24 18.23 0.16 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -150.54 30.01 0.68 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.616 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -52.1 -38.86 58.7 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.241 1.02 . . . . 0.0 112.11 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 -55.41 28.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.141 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.16 -51.15 71.26 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 111.553 -2.567 . . . . 0.0 111.158 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -64.64 -38.16 90.07 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 117.786 -1.565 . . . . 0.0 110.654 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . 0.405 ' HB3' HH11 ' S' ' 53' ' ' ARG . 0.3 OUTLIER -59.24 -48.6 81.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.875 175.202 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.08 -49.55 68.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.651 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -70.08 -26.64 64.09 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 112.863 -1.972 . . . . 0.0 111.742 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.31 -45.62 87.15 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.565 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 70.5 mt -57.56 -52.79 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.409 1.1 . . . . 0.0 109.842 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.95 72.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.221 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.66 -15.78 47.57 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.72 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -68.89 -47.02 66.88 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 168.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.5 -39.65 84.53 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.952 -1.931 . . . . 0.0 110.755 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.17 79.79 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.213 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -49.79 -46.78 51.2 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.064 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.0 -39.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 111.586 -174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.353 0.733 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.791 -177.438 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 122.222 1.01 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.93 -45.66 82.57 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 122.764 1.269 . . . . 0.0 111.096 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.473 -2.149 . . . . 0.0 111.351 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.98 86.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 118.142 -1.423 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.3 -43.47 98.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.274 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.63 -39.25 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.589 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.28 -42.25 75.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 112.911 -1.95 . . . . 0.0 111.076 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -47.73 62.0 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 125.514 1.759 . . . . 0.0 109.904 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.62 92.53 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.682 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.17 76.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.296 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.88 91.41 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.928 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.86 -31.79 55.03 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.922 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.82 -25.73 24.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.121 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.92 65.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 118.321 -1.351 . . . . 0.0 111.107 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.21 -3.92 1.52 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 112.897 -1.956 . . . . 0.0 112.062 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -52.03 -27.6 14.21 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.6 -33.51 76.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.753 -1.579 . . . . 0.0 111.141 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -80.4 45.16 0.74 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.635 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.56 3.94 10.35 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.481 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -65.75 -15.71 63.09 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.814 161.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtt -121.12 171.32 6.1 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 113.095 -1.866 . . . . 0.0 106.306 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.09 125.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 1.184 . . . . 0.0 111.785 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.5 139.3 32.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 174.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.05 99.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 122.305 1.05 . . . . 0.0 109.677 -176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.85 -17.05 64.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.571 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.79 -38.65 67.17 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.744 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 -42.42 86.97 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 122.303 1.049 . . . . 0.0 110.945 -164.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -54.13 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 113.367 -1.742 . . . . 0.0 111.455 171.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.57 -33.35 71.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.507 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -82.42 -29.34 30.8 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.313 1.008 . . . . 0.0 110.383 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -76.79 -46.5 24.79 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.526 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -77.67 123.78 86.56 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.437 -1.71 . . . . 0.0 108.972 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -68.03 136.78 39.05 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 N-CA-C 109.813 -0.88 . . . . 0.0 109.813 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -49.24 -26.52 3.01 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 113.72 -1.582 . . . . 0.0 112.75 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -26.07 26.21 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.629 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.37 26.17 7.44 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.061 0.851 . . . . 0.0 111.702 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -48.85 -41.52 33.38 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.2 t -54.73 -45.72 74.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.63 -51.98 62.83 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.268 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -55.27 -46.24 76.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.976 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -65.31 -48.52 72.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.944 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.44 -50.72 67.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 123.329 1.538 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -39.32 90.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 112.073 -2.33 . . . . 0.0 111.514 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.14 -46.43 53.89 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.832 0.708 . . . . 0.0 111.216 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.66 -47.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.309 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.03 71.69 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.816 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -68.35 -24.49 64.82 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 113.567 -1.651 . . . . 0.0 111.841 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.79 -43.25 84.41 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.856 -1.538 . . . . 0.0 110.879 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.56 -49.7 76.5 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.564 -1.653 . . . . 0.0 108.795 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.2 64.23 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.334 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -66.06 -39.18 89.89 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.203 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.56 -41.57 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 117.73 -1.588 . . . . 0.0 109.499 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.352 0.715 0 CA-C-N 114.264 -1.334 . . . . 0.0 112.59 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.45 -45.04 81.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 123.115 1.436 . . . . 0.0 110.252 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -32.88 67.73 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.861 -2.427 . . . . 0.0 111.895 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 83.6 t -77.56 -39.72 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 O-C-N 124.349 1.031 . . . . 0.0 111.36 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -53.12 -49.15 67.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 123.608 1.671 . . . . 0.0 110.984 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.17 -21.14 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.44 0 CA-C-N 111.843 -2.435 . . . . 0.0 111.753 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . 0.527 ' CG ' ' HE2' ' S' ' 59' ' ' HIS . 2.2 t70 -66.08 -50.01 65.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 121.916 0.865 . . . . 0.0 108.909 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.06 -43.06 99.65 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.512 -2.131 . . . . 0.0 109.573 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.76 72.31 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.988 -1.46 . . . . 0.0 111.465 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.44 88.03 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.782 -1.553 . . . . 0.0 112.318 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.23 83.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.123 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 -41.71 67.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.985 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 t -74.82 -21.31 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 118.075 -1.45 . . . . 0.0 111.811 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -22.94 66.81 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.403 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.73 -0.65 1.06 Allowed 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.173 -1.376 . . . . 0.0 112.402 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -56.33 -23.75 39.33 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.63 -30.53 70.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 117.278 -1.769 . . . . 0.0 111.515 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 5.29 36.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.902 -1.954 . . . . 0.0 112.025 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -44.52 -17.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.546 2.738 . . . . 0.0 115.712 -172.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -26.57 3.61 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.339 167.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.64 159.59 32.68 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 126.925 2.09 . . . . 0.0 107.936 170.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.13 132.53 42.14 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 122.168 1.912 . . . . 0.0 115.542 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.23 129.06 19.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mt -85.69 82.03 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.202 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.34 86.87 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.374 -1.284 . . . . 0.0 112.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.28 -32.27 47.84 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.924 0.868 . . . . 0.0 112.335 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -25.54 68.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.357 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.01 -38.26 45.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 122.271 1.034 . . . . 0.0 111.673 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -83.01 -43.54 16.24 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.252 -1.794 . . . . 0.0 109.723 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -67.23 -29.95 69.73 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.246 -1.343 . . . . 0.0 112.263 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 8.69 21.55 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.573 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -105.9 109.12 62.87 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.533 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.36 127.82 14.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 N-CA-C 108.877 -1.24 . . . . 0.0 108.877 169.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -49.39 -34.67 16.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.91 -1.495 . . . . 0.0 112.406 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -42.05 -29.77 0.24 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 111.689 -2.505 . . . . 0.0 113.433 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.28 59.99 1.4 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.059 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -29.16 68.25 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 113.89 -1.504 . . . . 0.0 113.116 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -73.57 -26.22 60.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 117.232 -1.787 . . . . 0.0 111.306 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -67.11 -52.45 41.66 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.944 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -44.85 96.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.173 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -53.84 52.66 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 117.846 -1.542 . . . . 0.0 110.605 -171.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.54 -49.58 74.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 113.866 -1.516 . . . . 0.0 110.988 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -67.08 -23.83 65.89 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 117.458 -1.697 . . . . 0.0 112.328 -174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -37.4 80.07 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.066 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.25 -36.85 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.216 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.18 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.048 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . 0.527 ' HE2' ' CG ' ' S' ' 19' ' ' ASP . 7.6 m-70 -67.97 -45.17 74.95 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.447 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.55 -36.9 77.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.711 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -44.43 91.96 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.377 175.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.87 70.39 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.786 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -51.84 -50.4 60.96 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.197 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.5 -39.16 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.52 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--O 1.22 -0.474 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.424 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 121.575 0.702 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.08 -47.5 65.16 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.056 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -67.44 -35.14 78.65 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.253 -1.794 . . . . 0.0 111.617 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 14.5 t -63.22 -40.29 88.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.821 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -55.98 -44.37 78.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 118.494 -1.282 . . . . 0.0 111.192 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.61 -38.28 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.772 -1.558 . . . . 0.0 111.628 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -54.75 -53.68 51.9 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.367 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.15 -40.45 85.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.71 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.19 66.77 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.585 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.28 75.99 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.011 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.89 85.23 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.757 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -34.76 61.87 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 112.574 -2.103 . . . . 0.0 113.064 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.32 -35.41 33.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 118.373 -1.331 . . . . 0.0 110.294 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.29 66.91 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.352 1.072 . . . . 0.0 111.528 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.36 0.7 0.26 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.377 -1.738 . . . . 0.0 113.213 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -51.06 -24.38 3.84 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 163.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -32.5 73.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 116.29 -2.164 . . . . 0.0 111.61 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 -89.2 19.08 4.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.508 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -4.64 3.63 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -19.34 63.31 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.219 167.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 164.19 15.98 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 168.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.19 112.12 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 122.424 0.697 . . . . 0.0 113.035 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.88 110.77 2.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 169.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . 0.456 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.8 mt -93.33 111.11 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 113.612 -1.631 . . . . 0.0 108.474 -177.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.26 -17.84 63.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 112.588 -2.096 . . . . 0.0 112.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -54.83 6.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.185 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . 0.456 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -54.65 -47.73 73.17 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.588 -170.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.08 -44.86 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 113.706 -1.588 . . . . 0.0 112.077 174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -73.56 -25.9 60.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.76 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -82.25 -20.9 36.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.201 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -82.89 -0.68 49.48 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.856 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.9 133.99 36.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.84 122.02 10.76 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 119.97 0.447 . . . . 0.0 111.75 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.06 -28.6 10.73 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.848 1.309 . . . . 0.0 112.862 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -53.95 -15.99 1.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 112.307 -2.224 . . . . 0.0 114.279 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.92 42.62 1.13 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 121.667 0.746 . . . . 0.0 112.428 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -53.41 -41.35 65.91 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.337 1.065 . . . . 0.0 112.851 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 35.9 m -59.43 -33.58 71.44 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.304 -1.771 . . . . 0.0 112.399 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.49 -42.86 99.78 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -46.89 84.92 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.726 -2.034 . . . . 0.0 110.5 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -55.81 -41.85 74.8 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.618 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.17 -51.43 69.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.31 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -68.89 -26.32 65.05 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.672 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.45 -46.69 86.05 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.842 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -58.3 -44.06 87.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 117.917 -1.513 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.02 79.36 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.719 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -71.54 -28.19 63.7 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 113.631 -1.622 . . . . 0.0 112.594 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -64.82 -44.57 89.43 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.47 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.06 -48.56 67.58 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.886 1.366 . . . . 0.0 110.483 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.76 84.08 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.408 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -62.79 -47.03 85.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.414 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.35 -29.42 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 117.279 -1.768 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 . . . . . 0 C--N 1.35 0.606 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.154 175.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mtt . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.527 0.679 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.24 -38.55 71.24 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.062 1.411 . . . . 0.0 111.328 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . 0.403 ' HB3' ' CZ2' ' S' ' 51' ' ' TRP . 14.4 mtpp -71.17 -28.2 64.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.947 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.41 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -36.31 80.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 118.0 -1.48 . . . . 0.0 110.953 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.45 -40.26 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -41.8 93.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.442 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -51.18 63.35 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.238 0.961 . . . . 0.0 110.776 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -45.78 88.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.275 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.29 79.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.107 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.89 90.95 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.97 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.77 -32.28 54.69 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-N 112.438 -2.165 . . . . 0.0 113.262 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.55 -39.88 62.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-O 122.068 0.937 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.29 75.19 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.122 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.72 33.06 0.25 Allowed 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.949 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.8 -8.03 32.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.368 0.604 . . . . 0.0 111.598 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.75 -17.62 24.61 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.365 1.079 . . . . 0.0 111.71 168.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -64.09 15.61 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.404 163.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -62.54 -16.76 57.67 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 120.52 1.509 . . . . 0.0 111.704 172.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -64.22 -11.0 26.9 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 113.74 -1.573 . . . . 0.0 112.443 169.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ptm -137.48 -167.42 0.15 Allowed Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 127.319 2.248 . . . . 0.0 105.069 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -86.01 126.36 2.84 Favored 'Trans proline' 0 C--N 1.363 1.313 0 C-N-CA 120.596 0.864 . . . . 0.0 113.327 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.27 141.44 28.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 169.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 9.0 mt -136.51 111.49 10.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 124.741 1.275 . . . . 0.0 108.977 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.01 70.56 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.941 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -66.82 -46.97 73.47 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.368 173.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -48.1 78.25 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.972 -166.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.68 -49.92 64.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-N 113.095 -1.866 . . . . 0.0 111.968 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -60.68 -34.72 74.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.59 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -27.83 30.64 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.598 -176.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -72.18 -36.68 69.32 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.723 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 137.15 96.38 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.059 173.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.92 115.4 4.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 120.706 0.937 . . . . 0.0 111.367 172.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -48.48 -27.7 2.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.473 -1.239 . . . . 0.0 113.399 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -45.02 -34.67 2.58 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.077 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.27 45.98 2.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.394 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -37.14 64.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.726 177.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -59.87 -34.25 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.09 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' S' ' 15' ' ' LYS . 74.8 t-105 -64.38 -45.21 88.69 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.632 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -45.03 94.68 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.965 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -50.23 74.4 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.416 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -61.09 -44.18 97.75 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.863 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -30.67 69.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.21 -46.96 75.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.691 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.81 -44.82 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.512 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.71 81.13 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.95 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -75.55 -29.74 59.48 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.274 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -50.29 72.94 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.934 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.59 -51.47 55.25 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.598 -1.637 . . . . 0.0 110.575 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.67 69.97 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.092 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -68.45 -49.33 60.63 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.398 -177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -36.21 60.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 CA--C 1.539 0.552 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.82 -171.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 48.8 mmm . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.396 0.617 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.05 -42.9 69.75 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.606 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 15' ' ' LYS . . . . . 0.425 ' HZ1' HD22 ' S' ' 48' ' ' LEU . 14.0 mptt -52.25 -42.24 63.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.456 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.05 -45.15 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.17 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -50.03 -48.78 52.55 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 122.21 1.005 . . . . 0.0 111.559 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -63.37 -30.4 49.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.23 -51.68 65.82 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.175 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.14 -50.73 72.5 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.259 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.9 67.98 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.099 -1.409 . . . . 0.0 111.774 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -32.48 73.85 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.397 -1.728 . . . . 0.0 111.285 -176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.05 65.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.636 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -25.19 54.86 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.92 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 25' ' ' VAL . . . . . 0.407 HG22 ' CG2' ' S' ' 40' ' ' VAL . 3.3 t -73.05 -30.38 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.083 0.944 . . . . 0.0 110.54 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.09 -19.68 64.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.141 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -62.77 -6.96 4.13 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.768 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' S' ' 29' ' ' GLU . 22.3 ttpp -50.87 -34.32 27.63 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.075 0.464 . . . . 0.0 112.19 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 29' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -68.26 -32.19 72.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 116.958 -1.897 . . . . 0.0 111.148 177.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -88.42 18.28 4.63 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.897 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.06 10.64 0.14 Allowed 'General case' 0 CA--C 1.558 1.254 0 CA-C-O 122.19 0.995 . . . . 0.0 113.383 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.02 -19.48 65.22 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.116 163.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 5.3 mmm -113.02 172.56 3.44 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 113.859 -1.519 . . . . 0.0 107.727 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -55.34 127.96 28.46 Favored 'Trans proline' 0 C--N 1.364 1.36 0 C-N-CA 121.691 1.594 . . . . 0.0 115.086 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.98 148.32 25.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.23 85.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-O 122.786 1.279 . . . . 0.0 109.508 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.57 -19.43 62.16 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 112.447 -2.161 . . . . 0.0 113.229 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.69 -47.75 21.05 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.47 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.245 -164.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 40' ' ' VAL . . . . . 0.407 ' CG2' HG22 ' S' ' 25' ' ' VAL . 20.5 m -51.1 -39.59 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-N 112.966 -1.925 . . . . 0.0 113.082 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -77.55 -15.96 58.94 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.34 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -28.02 14.55 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 174.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -74.87 -28.16 60.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.057 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 137.58 89.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.139 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.04 117.57 5.18 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 120.99 1.127 . . . . 0.0 110.941 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -58.51 -25.42 62.38 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.784 -173.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -50.94 -20.25 1.28 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 112.704 -2.043 . . . . 0.0 113.522 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 48' ' ' LEU . . . . . 0.425 HD22 ' HZ1' ' S' ' 15' ' ' LYS . 0.3 OUTLIER -146.72 58.23 1.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.361 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -40.23 60.43 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.146 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -54.66 -44.12 73.0 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.988 -1.914 . . . . 0.0 111.147 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -58.81 -44.07 90.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.063 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.85 -47.01 81.36 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.503 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -50.96 65.94 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 112.948 -1.933 . . . . 0.0 111.415 -175.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.45 -49.03 77.56 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.461 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.502 HH21 ' CD2' ' S' ' 59' ' ' HIS . 6.6 mmm180 -58.88 -35.5 73.09 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -45.18 64.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.066 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.82 -45.27 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.748 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.2 75.58 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.298 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 59' ' ' HIS . . . . . 0.502 ' CD2' HH21 ' S' ' 55' ' ' ARG . 28.7 m170 -74.73 -30.41 61.49 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.936 -1.938 . . . . 0.0 111.238 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -60.38 -49.3 78.15 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.885 1.365 . . . . 0.0 109.015 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -51.24 66.76 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.552 176.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.31 74.28 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.402 -1.272 . . . . 0.0 112.004 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -57.69 -59.26 5.47 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.811 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -29.01 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.283 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 CA--C 1.547 0.838 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.361 -178.643 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -109.17 -53.2 2.68 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.222 0.951 . . . . 0.0 110.865 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -40.89 36.0 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.461 -1.699 . . . . 0.0 113.761 -165.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . 0.259 5.6 p30 60.55 -0.62 0.26 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.38 -33.16 63.21 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 121.945 0.878 . . . . 0.0 112.341 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.51 63.76 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.149 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -78.84 -57.2 3.87 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.962 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.1 -30.01 70.93 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.98 -1.918 . . . . 0.0 111.537 -175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 5.93 116.69 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 126.593 2.433 . . . . 0.0 113.928 178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -48.18 -34.24 9.71 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.479 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.29 -43.21 78.21 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-N 114.365 -1.289 . . . . 0.0 112.348 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.33 -53.24 59.63 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.721 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt -71.98 -27.48 62.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 117.579 -1.649 . . . . 0.0 111.78 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.92 -48.16 73.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.106 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.919 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -30.78 44.47 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 125.143 1.527 . . . . 0.0 111.726 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.44 -37.14 71.45 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.685 1.231 . . . . 0.0 110.643 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -58.24 -38.3 67.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 CA-C-N 113.468 -1.696 . . . . 0.0 112.022 -177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . 0.566 ' HB3' ' HE2' ' S' ' 59' ' ' HIS . 0.0 OUTLIER -64.28 -39.83 94.74 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.687 -177.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.76 -44.64 90.66 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.297 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.79 87.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.541 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.53 -42.1 77.88 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.711 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.71 94.51 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.102 177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.1 -38.7 56.51 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 113.141 -1.845 . . . . 0.0 112.326 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.34 -26.71 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 118.629 -1.229 . . . . 0.0 111.733 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.6 -16.34 63.38 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.607 -1.178 . . . . 0.0 111.401 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.97 -4.9 10.76 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.409 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.25 -25.31 47.34 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 171.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.84 -35.97 82.37 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 116.105 -2.238 . . . . 0.0 110.434 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.58 32.67 0.71 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 112.713 -2.04 . . . . 0.0 109.99 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -66.2 -3.24 5.31 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.425 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -58.71 -20.09 45.79 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 117.93 -1.508 . . . . 0.0 111.18 165.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.99 169.04 7.15 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.45 126.53 9.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.109 1.206 . . . . 0.0 113.451 -168.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.68 124.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 mt -110.97 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.097 0.873 . . . . 0.0 109.697 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -32.25 64.18 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.624 -1.626 . . . . 0.0 112.689 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -44.57 93.91 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.936 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.6 -57.33 7.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.113 -168.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -49.29 -47.59 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 113.261 -1.791 . . . . 0.0 112.227 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.91 -44.37 86.77 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.059 -1.056 . . . . 0.0 111.41 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -78.28 -21.5 49.66 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.275 -1.33 . . . . 0.0 111.879 -174.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.44 -34.79 72.86 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.309 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -71.48 128.48 89.9 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.823 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.13 118.67 5.56 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 113.911 0.696 . . . . 0.0 113.911 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -44.57 -31.68 1.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.024 -1.444 . . . . 0.0 114.115 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -47.46 -48.21 26.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.14 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.3 29.1 6.28 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.353 -1.749 . . . . 0.0 110.355 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -49.18 -38.24 25.14 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.183 0.992 . . . . 0.0 113.27 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -52.44 -43.63 65.01 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.457 -1.702 . . . . 0.0 112.047 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -54.7 -42.66 71.72 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.066 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.2 -43.74 98.16 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 118.769 -1.172 . . . . 0.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -53.06 61.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.326 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.3 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.688 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.406 ' HD2' ' OD1' ' S' ' 19' ' ' ASP . 0.1 OUTLIER -61.3 -31.21 71.04 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.812 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -45.39 84.02 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.539 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mp -58.1 -43.11 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 118.935 -1.106 . . . . 0.0 110.722 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.89 92.25 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.318 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . 0.566 ' HE2' ' HB3' ' S' ' 19' ' ' ASP . 78.5 m-70 -71.79 -26.14 62.3 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 113.845 -1.525 . . . . 0.0 112.237 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.27 -47.27 83.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.464 1.102 . . . . 0.0 108.746 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -47.67 72.93 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 125.053 1.471 . . . . 0.0 110.409 176.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.69 66.35 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.576 -1.647 . . . . 0.0 112.598 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 53.7 p -77.96 -45.98 22.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 118.232 -1.387 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.17 -29.49 36.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.869 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -31.28 71.16 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.21 -55.04 0.66 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.716 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -32.85 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.353 0.746 0 C-N-CA 126.313 1.845 . . . . 0.0 112.503 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 64.73 -9.06 0.19 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 mt 53.09 94.33 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 125.23 1.412 . . . . 0.0 111.455 -164.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -79.12 -136.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.369 1.626 0 N-CA-C 109.295 -1.079 . . . . 0.0 109.295 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.1 -84.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 59.58 161.19 0.1 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.965 -168.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.33 -113.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.255 0 N-CA-C 108.358 -1.439 . . . . 0.0 108.358 171.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.01 93.74 0.07 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.451 1.119 . . . . 0.0 110.89 177.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tt -149.0 147.73 28.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.347 0.462 0 O-C-N 126.041 2.088 . . . . 0.0 109.888 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.223 -0.341 0 N-CA-C 103.444 -2.798 . . . . 0.0 103.444 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.24 -73.19 0.15 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 125.673 1.858 . . . . 0.0 109.601 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -179.34 7.41 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 112.095 -2.32 . . . . 0.0 107.908 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -168.69 -179.85 3.96 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tp 69.31 25.57 5.56 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.914 162.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . 53.31 32.5 13.74 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.597 -1.638 . . . . 0.0 112.23 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 tptt 59.03 28.19 17.37 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 121.887 0.851 . . . . 0.0 111.912 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.5 19.94 10.88 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.901 -1.5 . . . . 0.0 111.543 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.21 100.39 0.33 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 176.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -46.69 -46.26 19.97 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -52.3 -46.94 66.13 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 112.657 -2.065 . . . . 0.0 112.521 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.05 -28.97 64.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.186 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 80.5 mtp -58.13 -37.26 74.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 118.794 -1.163 . . . . 0.0 111.126 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -49.18 -41.25 36.07 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.712 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.52 -44.62 93.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.301 -1.772 . . . . 0.0 110.701 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -37.75 81.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 118.374 -1.331 . . . . 0.0 110.362 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -58.87 -41.51 87.22 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.576 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.3 -31.95 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.135 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.49 -45.33 94.68 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.109 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.49 64.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 113.272 -1.785 . . . . 0.0 110.246 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.02 -53.81 54.24 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.738 -174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.98 80.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.39 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.01 79.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.928 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.37 -28.71 55.72 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 113.912 -1.494 . . . . 0.0 112.695 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 7.6 t -67.58 -33.22 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 119.215 -0.994 . . . . 0.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.17 66.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.239 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -61.95 -6.84 3.12 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.868 172.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -50.2 -24.86 3.1 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 170.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -36.67 68.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 117.304 -1.759 . . . . 0.0 110.58 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -87.64 26.6 1.26 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.079 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.41 -2.04 2.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.827 0.822 . . . . 0.0 113.148 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -53.84 -25.74 21.09 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.161 166.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.5 mmm -111.21 166.08 11.49 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.152 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.94 112.1 3.32 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 120.302 0.668 . . . . 0.0 112.654 -167.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.86 119.16 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 113.901 -1.499 . . . . 0.0 108.446 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mt -101.73 100.79 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.53 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.51 79.57 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.011 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.64 -37.91 52.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.917 -175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -30.38 66.4 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.393 -1.731 . . . . 0.0 111.429 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.47 -43.83 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 122.3 1.048 . . . . 0.0 111.374 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -68.79 -33.66 74.24 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.385 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -71.29 -34.29 70.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.953 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -74.57 -29.57 61.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.627 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -117.39 92.56 40.67 Favored Pre-proline 0 CA--C 1.554 1.107 0 O-C-N 124.104 0.878 . . . . 0.0 110.333 -173.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -53.57 152.04 22.61 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.306 2.004 . . . . 0.0 116.207 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -48.51 -23.75 1.07 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.537 -1.665 . . . . 0.0 114.475 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -23.08 13.85 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 pp -116.05 25.17 10.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.884 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . 0.499 ' HD3' HH12 ' S' ' 53' ' ' ARG . 0.0 OUTLIER -55.37 -31.0 61.41 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.4 p -66.16 -48.77 69.68 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.615 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -57.22 -51.44 69.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.554 -1.657 . . . . 0.0 110.373 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -57.45 -41.32 80.27 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.294 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . 0.499 HH12 ' HD3' ' S' ' 49' ' ' ARG . 0.0 OUTLIER -56.28 -59.07 5.47 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.976 178.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.89 -41.92 78.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.763 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -38.52 90.02 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.026 -1.897 . . . . 0.0 111.764 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -42.16 45.02 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.954 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.7 -35.06 63.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.118 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.67 71.47 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 123.161 1.457 . . . . 0.0 110.456 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -74.57 -36.86 63.05 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.124 -170.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -59.72 -43.54 94.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.133 -1.427 . . . . 0.0 110.335 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.92 -49.99 71.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.263 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.65 76.63 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.853 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -60.61 -48.75 80.39 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.633 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.26 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.858 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -27.56 65.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 118.032 -1.467 . . . . 0.0 111.47 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt 76.26 -51.31 0.6 Allowed 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.759 1.623 . . . . 0.0 110.876 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -164.08 -49.41 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.922 167.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? 51.44 79.29 0.1 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.962 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -54.86 2.56 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 112.437 -2.165 . . . . 0.0 111.346 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.09 170.18 12.41 Favored 'Trans proline' 0 C--N 1.369 1.631 0 N-CA-C 109.258 -1.093 . . . . 0.0 109.258 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -153.62 -38.05 0.1 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.48 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 70.57 111.87 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 125.358 1.661 . . . . 0.0 108.975 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -55.35 -14.33 9.13 Favored 'Trans proline' 0 C--N 1.368 1.555 0 N-CA-C 118.441 2.439 . . . . 0.0 118.441 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 92.89 2.86 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 tp -156.82 119.76 4.08 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt . . . . . 0 CA--C 1.537 0.479 0 O-C-N 125.637 1.836 . . . . 0.0 107.41 176.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 80.1 mmm . . . . . 0 C--O 1.22 -0.494 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 49.7 mt 74.23 -59.96 0.54 Allowed 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.927 1.392 . . . . 0.0 112.398 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.32 164.88 28.65 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 174.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -137.92 28.25 2.63 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.346 1.029 . . . . 0.0 111.037 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -42.72 63.49 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 123.238 1.494 . . . . 0.0 110.688 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.43 -0.2 0.83 Allowed 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 111.97 -2.377 . . . . 0.0 114.168 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -80.63 -31.01 36.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.841 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -141.55 100.12 3.7 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 119.309 -0.956 . . . . 0.0 110.845 -170.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.9 136.9 0.12 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.132 169.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.95 -35.68 59.02 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.128 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -35.94 33.84 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.581 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -61.05 -49.73 76.18 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.76 -1.564 . . . . 0.0 109.281 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 13.1 mmt -61.82 -38.73 89.25 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 112.104 -2.316 . . . . 0.0 110.338 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -55.79 -44.51 77.83 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.023 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -60.87 -39.38 88.98 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.288 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.47 -32.78 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.323 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.2 -46.21 89.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.084 0.945 . . . . 0.0 109.155 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.44 -39.04 73.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.372 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.71 -27.27 64.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.414 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 -58.37 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 126.554 2.409 . . . . 0.0 110.658 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.5 -43.25 75.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.839 1.304 . . . . 0.0 111.846 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -14.03 46.01 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.755 -2.021 . . . . 0.0 112.573 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.06 23.81 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 121.766 0.793 . . . . 0.0 110.123 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.82 57.27 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.966 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.71 -41.27 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.405 -1.397 . . . . 0.0 111.734 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.87 59.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 113.934 -1.485 . . . . 0.0 110.408 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -62.42 0.93 0.4 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 113.822 -1.535 . . . . 0.0 112.834 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -45.28 -32.7 2.08 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . 0.416 ' C ' ' HE ' ' S' ' 30' ' ' ARG . 1.4 mp0 -66.73 -9.96 41.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 116.832 -1.947 . . . . 0.0 112.025 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . 0.416 ' HE ' ' C ' ' S' ' 29' ' ' GLU . 0.0 OUTLIER -112.26 28.7 8.54 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.595 1.558 . . . . 0.0 109.138 175.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -70.63 5.04 2.04 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.271 1.034 . . . . 0.0 113.021 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -61.93 -16.8 53.75 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.801 160.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.92 148.73 39.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -63.11 116.97 3.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 120.788 0.992 . . . . 0.0 113.139 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.82 97.97 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 122.915 1.34 . . . . 0.0 108.901 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.51 91.71 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.653 -1.612 . . . . 0.0 109.676 -173.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.21 17.72 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 113.528 -1.669 . . . . 0.0 114.045 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -46.34 56.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.084 0.945 . . . . 0.0 110.517 173.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.01 90.45 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.01 -161.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -47.06 -39.54 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.547 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.88 -11.56 58.1 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.383 -173.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -86.14 -45.35 11.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.207 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.88 -46.65 80.9 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.125 -1.852 . . . . 0.0 111.861 -175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 135.36 91.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.217 -170.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.75 124.78 16.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 1.1 . . . . 0.0 114.403 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.73 -29.37 62.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.64 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -70.51 11.05 0.39 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.55 34.01 0.7 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.309 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.81 -46.72 10.79 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.239 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -49.6 -42.38 44.47 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.195 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -65.22 -41.4 94.45 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.105 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.87 -43.79 97.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.514 -1.675 . . . . 0.0 110.432 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -62.75 -45.53 92.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.635 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -53.73 -50.55 65.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.244 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -66.53 -31.08 71.58 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 112.216 -2.265 . . . . 0.0 112.008 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -46.46 87.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.226 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.47 -52.46 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.902 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.06 63.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.065 -1.88 . . . . 0.0 111.832 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -74.98 -22.54 58.49 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 113.484 -1.689 . . . . 0.0 112.413 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -66.76 -48.01 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 117.055 -1.858 . . . . 0.0 109.129 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.77 -45.0 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.861 -1.972 . . . . 0.0 111.712 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.33 98.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.601 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.52 -171.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 24.1 m -64.87 -49.05 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 118.04 -1.464 . . . . 0.0 110.502 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -71.84 -27.27 62.78 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 117.615 -1.634 . . . . 0.0 112.183 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.5 -20.95 22.76 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.702 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 97.0 p -55.6 -22.25 21.36 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.34 1.025 . . . . 0.0 113.463 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 51.57 77.96 0.13 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 122.795 1.283 . . . . 0.0 112.465 169.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 89.4 mt -49.87 131.95 21.66 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-N 112.851 -1.977 . . . . 0.0 112.753 -170.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.95 131.48 15.67 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.956 1.771 . . . . 0.0 112.199 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -32.12 -66.15 0.13 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 125.283 1.614 . . . . 0.0 113.893 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 41.46 79.51 0.32 Allowed Pre-proline 0 CA--C 1.558 1.279 0 CA-C-N 114.686 -1.143 . . . . 0.0 113.889 169.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.62 135.62 42.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 121.438 1.425 . . . . 0.0 112.569 -171.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.5 174.74 5.81 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 19.1 tp 142.18 -107.96 0.0 OUTLIER 'General case' 0 C--N 1.352 0.692 0 C-N-CA 128.535 2.734 . . . . 0.0 106.649 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 174.123 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 50.68 -116.99 1.01 Allowed 'General case' 0 CA--C 1.55 0.956 0 O-C-N 126.008 2.067 . . . . 0.0 110.528 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . 0.432 ' HB3' ' HZ1' ' S' ' 3' ' ' LYS . 8.8 mtpm? -129.86 117.21 19.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 167.24 148.65 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.0 mt 75.07 -56.3 0.63 Allowed 'General case' 0 CA--C 1.549 0.921 0 O-C-N 125.154 1.534 . . . . 0.0 111.699 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.22 -47.57 46.18 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 122.1 0.952 . . . . 0.0 112.735 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -17.93 63.89 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 113.657 -1.61 . . . . 0.0 112.942 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.0 91.9 0.74 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.468 -167.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -139.2 -92.83 0.18 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.211 -1.813 . . . . 0.0 107.732 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.24 -49.22 12.57 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 122.812 1.292 . . . . 0.0 111.751 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -63.45 -35.58 80.89 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.68 -33.26 64.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.921 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.5 mmm -56.2 -56.19 24.01 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 114.255 -1.339 . . . . 0.0 109.499 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -51.28 -44.23 61.79 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.651 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -54.95 -49.61 70.93 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.574 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 m -67.89 -36.52 75.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 C-N-CA 119.106 -1.038 . . . . 0.0 111.645 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.27 -48.66 78.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.355 1.074 . . . . 0.0 111.047 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.82 -32.97 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.298 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.37 -45.15 92.22 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.362 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.41 -52.71 58.48 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.018 172.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -54.34 48.16 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.097 -1.865 . . . . 0.0 112.001 -172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -43.92 88.24 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.411 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.62 76.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.379 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -35.86 63.1 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.901 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 t -70.63 -25.62 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 118.651 -1.219 . . . . 0.0 111.616 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.66 -19.74 65.23 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.197 0.999 . . . . 0.0 111.34 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.63 -4.67 4.4 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.613 -1.63 . . . . 0.0 112.007 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.84 -24.54 62.2 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -68.9 -33.91 74.55 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 117.193 -1.803 . . . . 0.0 110.51 172.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -86.81 19.41 2.98 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.495 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -68.19 6.35 0.77 Allowed 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.401 1.096 . . . . 0.0 112.87 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.06 -27.66 61.89 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 118.062 -1.455 . . . . 0.0 110.607 160.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtm -112.7 177.09 1.26 Allowed Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.218 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.8 125.78 20.24 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 121.216 1.277 . . . . 0.0 115.058 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.87 136.42 47.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 166.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 mt -95.62 90.78 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 118.752 -1.179 . . . . 0.0 109.216 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.62 -19.94 64.28 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 113.659 -1.609 . . . . 0.0 113.056 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -35.0 65.44 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.834 0.825 . . . . 0.0 110.696 173.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.37 77.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.039 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 1.1 m -40.84 -50.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 O-C-N 124.967 1.417 . . . . 0.0 112.114 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.38 -37.37 66.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.656 -1.611 . . . . 0.0 110.744 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -78.72 -21.3 48.28 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.684 -1.143 . . . . 0.0 112.025 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -78.82 -25.17 44.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.551 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -101.59 91.04 2.02 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.241 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.85 146.87 84.4 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 N-CA-C 108.002 -1.576 . . . . 0.0 108.002 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -49.44 -27.35 4.1 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.912 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -13.23 22.38 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.77 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -151.15 23.94 0.73 Allowed 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.734 0.647 . . . . 0.0 112.158 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -52.6 -36.48 56.31 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.231 1.015 . . . . 0.0 112.852 -168.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -58.68 -47.44 84.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.089 -1.868 . . . . 0.0 111.798 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -57.92 -52.39 65.68 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.374 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.3 -52.35 63.74 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.906 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.502 -171.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -45.26 81.6 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 122.774 1.273 . . . . 0.0 109.751 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.433 ' CG ' HH11 ' S' ' 55' ' ' ARG . 0.0 OUTLIER -61.03 -33.35 73.15 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 113.023 -1.899 . . . . 0.0 111.591 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -43.96 66.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.115 0.885 . . . . 0.0 110.802 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.4 mp -62.57 -51.36 73.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.419 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.76 65.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.652 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -79.16 -27.68 42.73 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.488 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.78 -45.41 89.85 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.349 -1.34 . . . . 0.0 109.541 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.24 -33.67 76.27 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.491 -1.686 . . . . 0.0 110.625 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.07 87.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.255 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 99.1 p -77.2 -19.06 57.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.768 -169.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.86 -46.43 17.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 125.998 2.061 . . . . 0.0 109.883 166.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -7.19 51.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 118.684 -1.206 . . . . 0.0 112.66 -173.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -36.83 -45.85 0.58 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -168.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 32.8 t -83.7 48.02 1.37 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.298 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -46.58 31.82 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 124.487 1.117 . . . . 0.0 110.195 -166.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.34 110.41 2.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 112.112 -2.313 . . . . 0.0 108.153 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -67.95 -150.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.504 0 O-C-N 123.376 1.198 . . . . 0.0 112.674 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -139.36 -97.9 0.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.081 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' S' ' 74' ' ' LYS . 79.8 mt-10 63.8 115.03 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 O-C-N 124.977 1.423 . . . . 0.0 110.034 -170.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.97 -26.64 25.66 Favored 'Trans proline' 0 C--N 1.364 1.344 0 N-CA-C 118.894 2.613 . . . . 0.0 118.894 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' S' ' 72' ' ' GLU . 17.1 mmtm 48.28 66.85 0.95 Allowed 'General case' 0 CA--C 1.551 0.989 0 O-C-N 124.404 1.065 . . . . 0.0 113.272 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -162.5 175.69 11.22 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 1.019 0 O-C-N 126.885 2.615 . . . . 0.0 112.236 169.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtm . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.13 25.34 10.78 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 126.122 2.139 . . . . 0.0 111.889 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.76 131.07 0.07 Allowed 'General case' 0 C--N 1.345 0.372 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -176.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -179.55 153.35 0.56 Allowed 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 102.952 -2.981 . . . . 0.0 102.952 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp 76.89 -59.82 0.48 Allowed 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.492 1.12 . . . . 0.0 112.065 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.67 -56.48 9.96 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.778 0.799 . . . . 0.0 112.435 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -24.44 23.92 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.58 -1.646 . . . . 0.0 112.141 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 49.3 mt -77.88 -19.53 54.61 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.903 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.84 106.3 12.38 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.817 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -48.74 -36.47 16.48 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.146 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -58.18 -37.6 75.06 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.472 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.74 -40.48 79.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.988 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 82.8 mmm -58.35 -25.72 62.31 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.196 -1.365 . . . . 0.0 112.585 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.59 -38.15 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.742 0.782 . . . . 0.0 112.197 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -58.16 -36.16 72.61 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.32 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -42.67 45.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.038 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -43.53 61.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.951 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.09 -44.41 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 112.954 -1.93 . . . . 0.0 111.818 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . 0.445 ' CB ' ' HE2' ' S' ' 59' ' ' HIS . 0.0 OUTLIER -60.9 -42.38 97.93 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.935 -178.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -48.19 47.92 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.443 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.17 86.86 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.574 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.73 77.01 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.747 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.35 75.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.032 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.98 -36.02 71.68 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.564 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . 0.442 ' CG2' HG21 ' S' ' 40' ' ' VAL . 2.2 t -70.78 -35.17 59.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 114.272 -0.964 . . . . 0.0 110.38 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.15 83.72 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 116.869 -1.932 . . . . 0.0 109.746 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.31 17.15 0.2 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 112.258 -2.246 . . . . 0.0 112.765 175.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -10.18 5.69 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 171.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.09 -15.1 8.22 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.096 168.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -61.95 14.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.934 163.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.42 -14.74 62.6 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.405 1.457 . . . . 0.0 112.455 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -13.82 60.94 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 122.356 1.074 . . . . 0.0 111.073 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtm -126.93 -161.8 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -99.05 129.3 0.19 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 120.966 1.111 . . . . 0.0 112.041 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 p -152.06 109.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.564 171.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 5.7 mt -85.65 89.98 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.651 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.45 -62.16 1.79 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.92 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -46.12 -43.13 14.61 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.597 -1.183 . . . . 0.0 113.718 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.46 -29.88 62.24 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.935 -176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' S' ' 25' ' ' VAL . 2.2 p -54.36 -42.36 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 122.649 1.214 . . . . 0.0 112.006 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.79 -46.23 79.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.392 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -65.8 -27.11 68.02 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.246 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.25 -35.57 81.45 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.634 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -89.34 116.94 67.64 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.142 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -40.01 121.5 0.97 Allowed 'Trans proline' 0 CA--C 1.549 1.271 0 N-CA-C 115.633 1.359 . . . . 0.0 115.633 166.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.25 -24.17 10.64 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.468 -1.696 . . . . 0.0 113.544 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -27.03 11.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.569 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.81 38.92 3.01 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.208 177.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -57.04 -30.95 64.68 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.436 1.113 . . . . 0.0 112.174 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.0 m -55.19 -31.16 61.18 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.497 -1.683 . . . . 0.0 114.261 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -64.93 -47.3 78.18 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.141 1.525 . . . . 0.0 108.459 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.52 -50.06 75.39 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.97 -1.923 . . . . 0.0 110.871 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.6 -50.57 59.93 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 112.538 -2.119 . . . . 0.0 110.283 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -45.22 89.83 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 118.043 -1.463 . . . . 0.0 110.094 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.55 68.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 112.843 -1.981 . . . . 0.0 111.306 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -47.18 77.28 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 124.118 0.886 . . . . 0.0 110.687 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.28 -41.27 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.406 1.066 . . . . 0.0 109.823 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.32 95.96 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.522 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . 0.445 ' HE2' ' CB ' ' S' ' 19' ' ' ASP . 23.5 m-70 -68.46 -42.06 79.32 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.526 -175.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -31.21 72.32 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 117.287 -1.765 . . . . 0.0 110.245 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -44.07 82.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 122.489 1.138 . . . . 0.0 110.118 176.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.3 -37.27 72.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.197 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -59.23 -61.43 2.64 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.274 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -32.44 51.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.763 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -68.59 -18.77 64.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.635 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 17.7 mt 77.73 -54.9 0.52 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.013 1.325 . . . . 0.0 110.841 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 29.2 t -34.92 -40.59 0.12 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.148 2.179 . . . . 0.0 113.291 171.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 56.49 78.77 0.2 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.119 0.961 . . . . 0.0 112.925 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.76 -35.3 2.34 Favored Pre-proline 0 CA--C 1.567 1.596 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.27 -129.13 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.086 0 N-CA-C 117.622 2.124 . . . . 0.0 117.622 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -54.74 -58.19 8.52 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 30.66 104.39 0.01 OUTLIER Pre-proline 0 CA--C 1.556 1.193 0 O-C-N 126.346 2.279 . . . . 0.0 114.822 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -50.3 121.92 8.51 Favored 'Trans proline' 0 C--N 1.363 1.316 0 N-CA-C 114.528 0.934 . . . . 0.0 114.528 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 95.41 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.217 -177.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.423 ' H ' ' CD2' ' S' ' 75' ' ' LEU . 0.0 OUTLIER -88.83 44.35 1.2 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.484 177.231 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 CA-C-N 113.558 -1.655 . . . . 0.0 108.138 -173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 C--O 1.226 -0.163 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.39 161.33 32.68 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 125.608 1.817 . . . . 0.0 106.292 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -132.97 -175.86 3.92 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 152.52 122.69 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 127.33 2.252 . . . . 0.0 105.961 164.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.32 -34.44 76.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.319 -1.353 . . . . 0.0 110.236 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.22 -21.03 4.65 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 112.159 -2.291 . . . . 0.0 113.688 176.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -43.14 -39.97 3.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 123.822 0.701 . . . . 0.0 111.965 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -90.66 103.75 16.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 113.909 -1.496 . . . . 0.0 108.922 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.56 140.55 0.47 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -56.3 -38.74 71.66 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.957 1.36 . . . . 0.0 111.342 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.54 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.039 -1.892 . . . . 0.0 111.443 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -79.75 -27.05 40.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.031 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.74 -22.76 66.79 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 119.255 -0.978 . . . . 0.0 112.024 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -54.9 -23.74 20.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 119.381 -0.928 . . . . 0.0 112.75 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . 0.482 ' HZ2' ' N ' ' S' ' 15' ' ' LYS . 3.0 mmpm? -66.65 -34.67 78.4 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.814 178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.72 -40.88 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.385 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.56 -41.87 70.31 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.552 -1.203 . . . . 0.0 111.831 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.73 -43.66 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.303 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.01 -48.82 77.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.98 -41.77 99.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.655 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.98 79.24 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.263 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.41 78.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.64 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.56 -36.28 80.18 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.687 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.94 -39.74 69.86 Favored Glycine 0 CA--C 1.538 1.502 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.923 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.11 -33.25 62.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.04 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.01 -19.42 64.33 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 121.67 0.748 . . . . 0.0 112.367 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -68.19 -3.43 10.59 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.677 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -13.8 5.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -74.97 -36.75 62.03 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.932 1.348 . . . . 0.0 110.483 170.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -89.21 17.88 5.59 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.638 -2.074 . . . . 0.0 110.76 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.13 1.6 0.69 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.56 -22.05 66.05 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.809 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mmt -108.8 167.08 9.69 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 113.296 -1.774 . . . . 0.0 106.244 169.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.96 116.52 4.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 120.199 0.6 . . . . 0.0 112.107 -170.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.0 p -144.05 117.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.215 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.92 94.31 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.753 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.9 -9.68 40.63 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 113.795 -1.548 . . . . 0.0 112.966 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.63 -27.4 62.12 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.074 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.15 -40.85 61.98 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.048 0.843 . . . . 0.0 111.913 -165.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -41.59 -57.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.472 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.555 172.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.1 -41.87 97.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.181 -171.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.97 -35.69 80.52 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.672 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.12 22.67 9.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.622 -1.627 . . . . 0.0 110.312 -174.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.23 103.06 53.1 Favored Pre-proline 0 C--N 1.346 0.422 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -57.69 124.58 16.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 N-CA-C 109.905 -0.844 . . . . 0.0 109.905 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.91 30.12 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.856 1.313 . . . . 0.0 112.157 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -59.36 -26.38 65.03 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.896 -2.411 . . . . 0.0 113.056 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 46.52 1.68 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.943 0.877 . . . . 0.0 110.957 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -58.1 -32.35 68.01 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 117.554 -1.659 . . . . 0.0 112.638 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.7 p -62.6 -35.94 81.16 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.411 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.62 -47.95 83.57 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.781 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.23 -52.95 60.11 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 126.042 2.089 . . . . 0.0 109.976 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -50.57 -56.71 10.48 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.705 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.62 -41.92 82.28 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.27 0.981 . . . . 0.0 110.659 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.38 74.93 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 118.454 -1.298 . . . . 0.0 111.199 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -40.19 64.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.245 -178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.71 -44.34 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 118.973 -1.091 . . . . 0.0 109.759 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.05 84.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.243 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -74.23 -25.82 59.88 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 113.206 -1.816 . . . . 0.0 112.768 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -66.87 -46.58 74.54 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.741 172.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.7 -46.26 70.67 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.295 1.622 . . . . 0.0 109.656 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.91 91.71 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.369 -1.741 . . . . 0.0 112.256 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.73 -51.71 67.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 118.789 -1.165 . . . . 0.0 111.404 -176.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.39 -31.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.156 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -20.76 64.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.543 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 pp 46.83 38.43 6.0 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 124.211 0.945 . . . . 0.0 113.369 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -167.29 -106.24 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 113.769 -1.559 . . . . 0.0 108.903 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.24 -19.92 2.16 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.508 ' N ' ' CD ' ' S' ' 70' ' ' PRO 0.317 1.2 pp 123.86 -21.91 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 129.874 3.27 . . . . 0.0 114.562 -179.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' S' ' 69' ' ' LEU . 91.2 Cg_endo -79.07 -159.56 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.048 0 CA-C-N 120.943 1.372 . . . . 0.0 111.183 -170.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . 0.427 ' OH ' ' NZ ' ' S' ' 74' ' ' LYS . 19.8 t80 -62.9 125.34 23.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.867 172.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.49 102.73 0.32 Allowed Pre-proline 0 CA--C 1.558 1.273 0 O-C-N 125.492 1.745 . . . . 0.0 111.544 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.23 133.93 3.43 Favored 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 122.029 1.819 . . . . 0.0 110.295 -171.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . 0.427 ' NZ ' ' OH ' ' S' ' 71' ' ' TYR . 0.0 OUTLIER -170.35 -176.86 2.29 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -173.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.65 163.2 14.19 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 125.363 1.664 . . . . 0.0 108.535 172.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm . . . . . 0 CA--C 1.541 0.618 0 O-C-N 126.221 2.201 . . . . 0.0 111.102 -178.577 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.522 ' N ' ' SD ' ' S' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 119.643 -0.218 . . . . 0.0 111.282 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . 0.45 ' O ' ' NZ ' ' S' ' 3' ' ' LYS . 2.1 mp -16.72 -110.09 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 128.043 2.537 . . . . 0.0 115.665 -171.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' S' ' 2' ' ' LEU . 1.9 mtmp? 97.17 136.35 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.358 2.263 . . . . 0.0 109.04 -173.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.34 -29.3 70.63 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.616 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.6 -22.72 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.592 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . 0.486 ' O ' ' NZ ' ' S' ' 15' ' ' LYS . . . -67.7 -15.15 63.49 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.491 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.34 -72.68 0.52 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.112 173.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.59 96.1 9.98 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.97 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -171.91 153.5 3.26 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 164.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -61.97 -45.33 94.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 122.0 0.905 . . . . 0.0 111.608 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -55.85 -31.66 62.95 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.014 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -84.35 -4.79 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.224 -1.807 . . . . 0.0 112.206 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 38.7 mmt -77.24 -13.61 59.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.736 0.647 . . . . 0.0 110.821 171.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -46.42 -38.91 9.67 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . 0.486 ' NZ ' ' O ' ' S' ' 6' ' ' ALA . 1.5 mppt? -57.67 -42.73 84.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.998 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.18 -39.84 79.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 117.495 -1.682 . . . . 0.0 109.682 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -57.1 -45.69 83.19 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.915 -1.493 . . . . 0.0 110.218 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.07 -34.93 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 112.856 -1.974 . . . . 0.0 111.698 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -63.61 -41.17 98.33 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 122.041 0.924 . . . . 0.0 110.323 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.99 -38.02 87.42 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.335 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.1 70.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.336 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -27.68 64.2 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.652 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.17 63.89 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.528 0.68 . . . . 0.0 110.33 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.78 67.9 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.583 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.53 -49.84 80.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.85 176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -43.48 29.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.431 1.11 . . . . 0.0 112.133 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -59.08 -5.12 0.6 Allowed 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 111.582 -2.554 . . . . 0.0 113.945 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -16.24 5.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 164.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.53 -28.54 68.5 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.455 1.122 . . . . 0.0 111.105 173.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -102.66 36.39 2.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.806 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.16 -17.33 6.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.34 76.17 3.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 117.623 -1.631 . . . . 0.0 108.437 160.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mtm 152.28 151.27 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 131.472 3.909 . . . . 0.0 105.024 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.64 121.67 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 120.854 1.036 . . . . 0.0 112.482 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.8 113.4 22.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -83.93 74.63 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.122 -169.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.54 52.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 113.608 -1.633 . . . . 0.0 113.717 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.61 -35.0 79.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 119.162 -1.015 . . . . 0.0 112.399 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -22.89 66.56 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.816 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 m -59.67 -29.78 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.679 -173.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -88.6 -12.71 41.86 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.892 -1.504 . . . . 0.0 112.249 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -99.9 -39.77 8.01 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.22 0.95 . . . . 0.0 110.674 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.25 -46.09 88.5 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.523 -1.672 . . . . 0.0 109.878 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -65.84 109.66 3.49 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 112.006 -2.361 . . . . 0.0 110.719 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -78.39 139.98 16.87 Favored 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-O 121.952 0.73 . . . . 0.0 111.325 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -35.95 0.63 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 113.683 -1.599 . . . . 0.0 114.897 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.24 18.23 0.16 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -150.54 30.01 0.68 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.616 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -52.1 -38.86 58.7 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.241 1.02 . . . . 0.0 112.11 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 -55.41 28.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.141 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.16 -51.15 71.26 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 111.553 -2.567 . . . . 0.0 111.158 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -64.64 -38.16 90.07 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 117.786 -1.565 . . . . 0.0 110.654 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . 0.405 ' HB3' HH11 ' S' ' 53' ' ' ARG . 0.3 OUTLIER -59.24 -48.6 81.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.875 175.202 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.08 -49.55 68.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.651 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -70.08 -26.64 64.09 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 112.863 -1.972 . . . . 0.0 111.742 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.31 -45.62 87.15 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.565 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 70.5 mt -57.56 -52.79 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.409 1.1 . . . . 0.0 109.842 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.95 72.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.221 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.66 -15.78 47.57 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.72 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -68.89 -47.02 66.88 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 168.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.5 -39.65 84.53 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.952 -1.931 . . . . 0.0 110.755 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.17 79.79 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.213 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -49.79 -46.78 51.2 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.064 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.0 -39.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 111.586 -174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -91.76 2.95 56.16 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.791 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.06 -28.01 66.06 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 121.665 0.745 . . . . 0.0 111.845 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -108.68 33.57 4.13 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.378 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -76.03 31.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 pp 20.81 64.31 0.27 Allowed Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 125.579 1.551 . . . . 0.0 115.124 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.67 140.91 21.48 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.341 1.36 . . . . 0.0 110.029 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 82.8 t80 79.26 153.35 0.13 Allowed 'General case' 0 C--N 1.354 0.79 0 O-C-N 125.544 1.778 . . . . 0.0 109.042 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -106.74 108.94 62.75 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 113.264 -1.789 . . . . 0.0 106.928 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.48 -140.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 121.22 1.28 . . . . 0.0 113.771 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 78.09 145.46 0.09 Allowed 'General case' 0 C--N 1.352 0.678 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.299 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt 76.17 -66.37 0.27 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.919 -1.491 . . . . 0.0 113.106 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 O-C-N 124.35 1.031 . . . . 0.0 108.378 -165.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 1' ' ' MET . . . . . 0.48 ' CE ' ' H3 ' ' S' ' 1' ' ' MET . 26.4 mmt . . . . . 0 C--O 1.222 -0.39 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.09 28.2 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -80.55 -85.9 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 74.17 -59.97 0.54 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.392 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -50.25 -31.83 15.1 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.644 1.212 . . . . 0.0 112.211 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.44 -7.17 0.36 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 112.354 -2.203 . . . . 0.0 115.671 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -25.28 59.82 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 174.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.78 114.88 6.58 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.402 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.36 142.18 0.02 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -45.84 67.86 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 124.22 0.95 . . . . 0.0 111.857 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -30.48 67.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 117.541 -1.664 . . . . 0.0 111.245 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.62 -34.62 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 117.302 -1.759 . . . . 0.0 111.746 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 8.4 mtt -80.17 -48.52 13.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.741 -1.572 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.93 -45.66 82.57 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 122.764 1.269 . . . . 0.0 111.096 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.473 -2.149 . . . . 0.0 111.351 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.98 86.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 118.142 -1.423 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.3 -43.47 98.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.274 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.63 -39.25 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.589 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.28 -42.25 75.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 112.911 -1.95 . . . . 0.0 111.076 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -47.73 62.0 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 125.514 1.759 . . . . 0.0 109.904 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.62 92.53 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.682 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.17 76.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.296 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.88 91.41 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.928 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.86 -31.79 55.03 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.922 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.82 -25.73 24.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.121 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.92 65.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 118.321 -1.351 . . . . 0.0 111.107 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.21 -3.92 1.52 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 112.897 -1.956 . . . . 0.0 112.062 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -52.03 -27.6 14.21 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.6 -33.51 76.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.753 -1.579 . . . . 0.0 111.141 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -80.4 45.16 0.74 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.635 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.56 3.94 10.35 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.481 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -65.75 -15.71 63.09 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.814 161.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtt -121.12 171.32 6.1 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 113.095 -1.866 . . . . 0.0 106.306 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.09 125.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 1.184 . . . . 0.0 111.785 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.5 139.3 32.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 174.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.05 99.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 122.305 1.05 . . . . 0.0 109.677 -176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.85 -17.05 64.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.571 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.79 -38.65 67.17 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.744 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 -42.42 86.97 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 122.303 1.049 . . . . 0.0 110.945 -164.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -54.13 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 113.367 -1.742 . . . . 0.0 111.455 171.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.57 -33.35 71.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.507 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -82.42 -29.34 30.8 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.313 1.008 . . . . 0.0 110.383 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -76.79 -46.5 24.79 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.526 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -77.67 123.78 86.56 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.437 -1.71 . . . . 0.0 108.972 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -68.03 136.78 39.05 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 N-CA-C 109.813 -0.88 . . . . 0.0 109.813 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -49.24 -26.52 3.01 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 113.72 -1.582 . . . . 0.0 112.75 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -26.07 26.21 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.629 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.37 26.17 7.44 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.061 0.851 . . . . 0.0 111.702 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -48.85 -41.52 33.38 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.2 t -54.73 -45.72 74.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.63 -51.98 62.83 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.268 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -55.27 -46.24 76.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.976 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -65.31 -48.52 72.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.944 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.44 -50.72 67.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 123.329 1.538 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -39.32 90.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 112.073 -2.33 . . . . 0.0 111.514 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.14 -46.43 53.89 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.832 0.708 . . . . 0.0 111.216 176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.66 -47.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.309 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.03 71.69 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.816 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -68.35 -24.49 64.82 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 113.567 -1.651 . . . . 0.0 111.841 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.79 -43.25 84.41 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.856 -1.538 . . . . 0.0 110.879 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.56 -49.7 76.5 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.564 -1.653 . . . . 0.0 108.795 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.2 64.23 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.334 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -66.06 -39.18 89.89 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.203 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.56 -41.57 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 117.73 -1.588 . . . . 0.0 109.499 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.27 12.61 7.76 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.264 -1.334 . . . . 0.0 112.59 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -60.96 -29.75 69.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.919 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 26.3 t -112.33 72.56 0.78 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.325 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -66.91 -88.74 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.654 1.221 . . . . 0.0 111.011 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 172.59 -56.18 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.644 -170.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.63 -168.76 0.42 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 CA-C-O 122.305 0.877 . . . . 0.0 111.983 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -85.52 -8.36 58.37 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.891 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 68.26 107.65 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 O-C-N 124.488 1.117 . . . . 0.0 110.897 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.13 140.5 22.54 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 121.128 1.219 . . . . 0.0 110.314 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 52.04 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.967 -1.924 . . . . 0.0 108.335 -172.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -124.63 -171.65 2.39 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.768 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 tptp . . . . . 0 CA--C 1.541 0.601 0 O-C-N 125.563 1.789 . . . . 0.0 108.507 178.382 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 90.2 mt -146.06 -82.28 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.533 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.96 179.81 1.87 Allowed 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.94 -61.96 0.08 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.604 -2.089 . . . . 0.0 107.328 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.06 -76.26 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -171.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.47 -16.05 58.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.924 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -88.05 -22.83 23.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.85 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -148.59 93.51 2.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.679 -1.601 . . . . 0.0 107.141 -171.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -141.81 -104.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -50.71 -45.5 58.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.339 0.59 . . . . 0.0 111.806 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 36.1 m -50.74 -56.84 10.14 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.344 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -64.52 -45.4 87.39 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 123.081 1.419 . . . . 0.0 109.291 -168.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 3.0 ttp -71.25 -38.84 71.9 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 112.104 -2.316 . . . . 0.0 111.399 -173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.45 -45.04 81.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 123.115 1.436 . . . . 0.0 110.252 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -32.88 67.73 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.861 -2.427 . . . . 0.0 111.895 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 83.6 t -77.56 -39.72 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 O-C-N 124.349 1.031 . . . . 0.0 111.36 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -53.12 -49.15 67.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 123.608 1.671 . . . . 0.0 110.984 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.17 -21.14 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.44 0 CA-C-N 111.843 -2.435 . . . . 0.0 111.753 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . 0.527 ' CG ' ' HE2' ' S' ' 59' ' ' HIS . 2.2 t70 -66.08 -50.01 65.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 121.916 0.865 . . . . 0.0 108.909 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.06 -43.06 99.65 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.512 -2.131 . . . . 0.0 109.573 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.76 72.31 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.988 -1.46 . . . . 0.0 111.465 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.44 88.03 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.782 -1.553 . . . . 0.0 112.318 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.23 83.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.123 176.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 -41.71 67.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.985 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 t -74.82 -21.31 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 118.075 -1.45 . . . . 0.0 111.811 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -22.94 66.81 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.403 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.73 -0.65 1.06 Allowed 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.173 -1.376 . . . . 0.0 112.402 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -56.33 -23.75 39.33 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.63 -30.53 70.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 117.278 -1.769 . . . . 0.0 111.515 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 5.29 36.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.902 -1.954 . . . . 0.0 112.025 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -44.52 -17.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.546 2.738 . . . . 0.0 115.712 -172.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -26.57 3.61 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.339 167.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.64 159.59 32.68 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 126.925 2.09 . . . . 0.0 107.936 170.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.13 132.53 42.14 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 122.168 1.912 . . . . 0.0 115.542 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.23 129.06 19.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mt -85.69 82.03 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.202 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.34 86.87 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.374 -1.284 . . . . 0.0 112.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.28 -32.27 47.84 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.924 0.868 . . . . 0.0 112.335 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -25.54 68.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.357 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 1.4 p -55.01 -38.26 45.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 122.271 1.034 . . . . 0.0 111.673 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -83.01 -43.54 16.24 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.252 -1.794 . . . . 0.0 109.723 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -67.23 -29.95 69.73 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.246 -1.343 . . . . 0.0 112.263 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 8.69 21.55 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.573 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -105.9 109.12 62.87 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.533 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.36 127.82 14.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 N-CA-C 108.877 -1.24 . . . . 0.0 108.877 169.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -49.39 -34.67 16.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.91 -1.495 . . . . 0.0 112.406 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -42.05 -29.77 0.24 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 111.689 -2.505 . . . . 0.0 113.433 176.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.28 59.99 1.4 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.059 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -29.16 68.25 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 113.89 -1.504 . . . . 0.0 113.116 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -73.57 -26.22 60.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 117.232 -1.787 . . . . 0.0 111.306 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -67.11 -52.45 41.66 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.944 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -44.85 96.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.173 177.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -53.84 52.66 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 117.846 -1.542 . . . . 0.0 110.605 -171.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.54 -49.58 74.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 113.866 -1.516 . . . . 0.0 110.988 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -67.08 -23.83 65.89 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 117.458 -1.697 . . . . 0.0 112.328 -174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -37.4 80.07 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.066 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.25 -36.85 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.216 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.18 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.048 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . 0.527 ' HE2' ' CG ' ' S' ' 19' ' ' ASP . 7.6 m-70 -67.97 -45.17 74.95 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.447 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.55 -36.9 77.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.711 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -44.43 91.96 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.377 175.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.87 70.39 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.786 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -51.84 -50.4 60.96 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.197 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.5 -39.16 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.52 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -70.76 -31.15 67.85 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.424 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp 140.8 -6.27 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 125.887 1.992 . . . . 0.0 112.175 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 10.2 t 78.45 52.43 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 122.358 1.075 . . . . 0.0 111.817 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -85.42 43.89 1.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.182 -1.826 . . . . 0.0 113.059 -171.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 27.87 63.3 0.65 Allowed Pre-proline 0 CA--C 1.567 1.615 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.39 165.7 31.17 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 121.706 1.604 . . . . 0.0 112.667 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -122.06 156.53 33.35 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.435 -1.711 . . . . 0.0 108.063 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -141.75 -52.42 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 125.044 1.465 . . . . 0.0 112.77 -170.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -59.59 -155.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.374 1.912 0 CA-C-N 118.925 0.652 . . . . 0.0 113.712 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 107.35 0.14 Allowed 'General case' 0 C--N 1.359 0.994 0 CA-C-O 121.165 0.507 . . . . 0.0 110.948 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 127.43 31.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 126.333 2.27 . . . . 0.0 109.397 -174.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 -176.191 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 C--O 1.226 -0.168 0 N-CA-C 103.444 -2.798 . . . . 0.0 103.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? 72.76 -78.51 0.05 OUTLIER 'General case' 0 C--N 1.349 0.571 0 O-C-N 125.492 1.745 . . . . 0.0 109.291 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 mttp 77.85 121.38 0.05 OUTLIER 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.744 1.902 . . . . 0.0 108.44 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -81.38 -143.53 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.1 60.57 1.99 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 122.692 1.234 . . . . 0.0 112.476 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.89 27.83 16.14 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.561 -2.108 . . . . 0.0 112.121 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.37 33.18 22.32 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.658 -173.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 tt 75.32 -5.23 2.21 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.227 -177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.01 91.63 4.26 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.572 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.88 -36.95 40.67 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.736 1.255 . . . . 0.0 111.383 171.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -38.86 74.83 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.471 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -57.92 -43.64 86.37 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.123 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.71 -56.17 25.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.967 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.08 -47.5 65.16 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.056 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -67.44 -35.14 78.65 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.253 -1.794 . . . . 0.0 111.617 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 14.5 t -63.22 -40.29 88.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.821 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -55.98 -44.37 78.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 118.494 -1.282 . . . . 0.0 111.192 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.61 -38.28 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.772 -1.558 . . . . 0.0 111.628 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -54.75 -53.68 51.9 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.367 177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.15 -40.45 85.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.71 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.01 -40.19 66.77 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.585 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.23 -46.28 75.99 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.011 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.89 85.23 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.757 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -34.76 61.87 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 112.574 -2.103 . . . . 0.0 113.064 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 t -75.32 -35.41 33.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 118.373 -1.331 . . . . 0.0 110.294 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.29 66.91 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.352 1.072 . . . . 0.0 111.528 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.36 0.7 0.26 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.377 -1.738 . . . . 0.0 113.213 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -51.06 -24.38 3.84 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 163.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -32.5 73.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 116.29 -2.164 . . . . 0.0 111.61 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 -89.2 19.08 4.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.508 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -4.64 3.63 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -19.34 63.31 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.219 167.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 164.19 15.98 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 168.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.19 112.12 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 122.424 0.697 . . . . 0.0 113.035 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -141.88 110.77 2.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 169.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . 0.456 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.8 mt -93.33 111.11 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 113.612 -1.631 . . . . 0.0 108.474 -177.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.26 -17.84 63.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 112.588 -2.096 . . . . 0.0 112.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -54.83 6.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.185 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . 0.456 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -54.65 -47.73 73.17 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.588 -170.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.08 -44.86 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 113.706 -1.588 . . . . 0.0 112.077 174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -73.56 -25.9 60.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.76 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -82.25 -20.9 36.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.201 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -82.89 -0.68 49.48 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.856 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.9 133.99 36.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.84 122.02 10.76 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 119.97 0.447 . . . . 0.0 111.75 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.06 -28.6 10.73 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.848 1.309 . . . . 0.0 112.862 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -53.95 -15.99 1.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 112.307 -2.224 . . . . 0.0 114.279 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.92 42.62 1.13 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 121.667 0.746 . . . . 0.0 112.428 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -53.41 -41.35 65.91 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.337 1.065 . . . . 0.0 112.851 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 35.9 m -59.43 -33.58 71.44 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.304 -1.771 . . . . 0.0 112.399 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.49 -42.86 99.78 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -46.89 84.92 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.726 -2.034 . . . . 0.0 110.5 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -55.81 -41.85 74.8 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.618 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.17 -51.43 69.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.31 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -68.89 -26.32 65.05 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.672 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.45 -46.69 86.05 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.842 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -58.3 -44.06 87.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 117.917 -1.513 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.02 79.36 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.719 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -71.54 -28.19 63.7 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 113.631 -1.622 . . . . 0.0 112.594 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -64.82 -44.57 89.43 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.47 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.06 -48.56 67.58 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.886 1.366 . . . . 0.0 110.483 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.76 84.08 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.408 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -62.79 -47.03 85.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.414 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.35 -29.42 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 117.279 -1.768 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.72 -16.8 60.73 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.154 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' S' ' 68' ' ' ARG . 1.4 mt -8.31 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.424 1.889 . . . . 0.0 113.165 -172.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t 52.35 -66.91 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 O-C-N 126.929 2.643 . . . . 0.0 113.627 168.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' S' ' 66' ' ' LEU . 0.3 OUTLIER 51.02 49.25 21.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 123.662 1.696 . . . . 0.0 111.215 167.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.511 ' CD1' ' H ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -70.83 164.89 51.95 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 109.935 -3.302 . . . . 0.0 108.098 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.22 -150.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 O-C-N 123.684 1.36 . . . . 0.0 115.123 172.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -174.05 2.71 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.08 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.91 104.31 54.18 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.497 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -47.22 -85.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.294 1.996 . . . . 0.0 115.063 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tptm 162.26 122.3 0.0 OUTLIER 'General case' 0 C--N 1.345 0.379 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.4 105.39 1.78 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 170.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 O-C-N 126.404 2.315 . . . . 0.0 112.02 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 C--O 1.222 -0.379 0 N-CA-C 103.25 -2.871 . . . . 0.0 103.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.88 156.48 42.74 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 -177.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt 73.83 -8.94 1.3 Allowed 'General case' 0 CA--C 1.548 0.894 0 O-C-N 125.354 1.659 . . . . 0.0 111.701 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -117.55 105.84 12.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mp -75.67 64.7 1.74 Allowed 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.787 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . 48.26 31.55 2.71 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.64 17.27 10.58 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.572 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mt 135.07 102.87 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 130.596 3.558 . . . . 0.0 108.562 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -148.34 -81.88 0.12 Allowed 'General case' 0 C--N 1.359 1.022 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.454 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -53.49 -51.27 63.31 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 122.843 1.306 . . . . 0.0 110.643 -178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -53.95 -41.5 67.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 111.84 -2.436 . . . . 0.0 111.23 171.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.97 -38.46 91.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.069 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mtt -56.72 -54.14 49.69 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.973 0.796 . . . . 0.0 111.361 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.24 -38.55 71.24 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.062 1.411 . . . . 0.0 111.328 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . 0.403 ' HB3' ' CZ2' ' S' ' 51' ' ' TRP . 14.4 mtpp -71.17 -28.2 64.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.947 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.41 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -36.31 80.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 118.0 -1.48 . . . . 0.0 110.953 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.45 -40.26 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -41.8 93.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.442 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -51.18 63.35 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.238 0.961 . . . . 0.0 110.776 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.7 -45.78 88.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.275 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.29 79.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.107 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.89 90.95 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.97 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.77 -32.28 54.69 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-N 112.438 -2.165 . . . . 0.0 113.262 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.55 -39.88 62.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-O 122.068 0.937 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.29 75.19 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.122 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.72 33.06 0.25 Allowed 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.949 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.8 -8.03 32.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.368 0.604 . . . . 0.0 111.598 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.75 -17.62 24.61 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.365 1.079 . . . . 0.0 111.71 168.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -64.09 15.61 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.404 163.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -62.54 -16.76 57.67 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 120.52 1.509 . . . . 0.0 111.704 172.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -64.22 -11.0 26.9 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 113.74 -1.573 . . . . 0.0 112.443 169.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ptm -137.48 -167.42 0.15 Allowed Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 127.319 2.248 . . . . 0.0 105.069 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -86.01 126.36 2.84 Favored 'Trans proline' 0 C--N 1.363 1.313 0 C-N-CA 120.596 0.864 . . . . 0.0 113.327 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.27 141.44 28.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 169.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 9.0 mt -136.51 111.49 10.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 124.741 1.275 . . . . 0.0 108.977 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.01 70.56 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.941 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -66.82 -46.97 73.47 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.368 173.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.78 -48.1 78.25 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.972 -166.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.68 -49.92 64.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-N 113.095 -1.866 . . . . 0.0 111.968 174.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -60.68 -34.72 74.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.59 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -27.83 30.64 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.598 -176.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -72.18 -36.68 69.32 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.723 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 137.15 96.38 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.059 173.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.92 115.4 4.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 120.706 0.937 . . . . 0.0 111.367 172.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -48.48 -27.7 2.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.473 -1.239 . . . . 0.0 113.399 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -45.02 -34.67 2.58 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.077 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.27 45.98 2.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.394 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -37.14 64.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.726 177.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -59.87 -34.25 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.09 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' S' ' 15' ' ' LYS . 74.8 t-105 -64.38 -45.21 88.69 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.632 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -45.03 94.68 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.965 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -50.23 74.4 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.416 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -61.09 -44.18 97.75 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.863 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -30.67 69.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.38 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.21 -46.96 75.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.691 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.81 -44.82 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.512 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.71 81.13 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.95 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -75.55 -29.74 59.48 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.274 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.78 -50.29 72.94 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.934 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.59 -51.47 55.25 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.598 -1.637 . . . . 0.0 110.575 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.67 69.97 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.092 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -68.45 -49.33 60.63 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.398 -177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -36.21 60.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -81.14 -26.58 36.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.82 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 tt -13.75 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 128.723 2.809 . . . . 0.0 114.356 -171.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -141.45 31.38 1.7 Allowed 'General case' 0 C--N 1.345 0.403 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.605 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -39.42 84.3 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.847 1.308 . . . . 0.0 109.93 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -109.1 124.96 32.62 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 111.375 -2.648 . . . . 0.0 105.159 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.23 -149.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.453 0 O-C-N 123.324 1.17 . . . . 0.0 109.936 172.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -100.29 -86.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 62.61 155.97 0.12 Allowed Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 113.636 -1.62 . . . . 0.0 110.618 -165.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.97 -144.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.335 0 N-CA-C 109.289 -1.081 . . . . 0.0 109.289 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.64 121.03 0.32 Allowed 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -170.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.69 146.0 0.08 Allowed 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.508 1.755 . . . . 0.0 109.381 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 12.7 tptp . . . . . 0 CA--C 1.543 0.676 0 CA-C-N 112.562 -2.108 . . . . 0.0 111.116 175.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -171.8 -28.8 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 O-C-N 125.97 2.044 . . . . 0.0 111.897 -170.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -147.41 -169.72 3.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 110.958 -2.837 . . . . 0.0 103.788 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 4' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' S' ' 6' ' ' ALA . 0.3 OUTLIER -161.91 95.07 0.96 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.829 1.956 . . . . 0.0 106.139 -169.469 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.48 23.34 0.31 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.688 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 6' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' S' ' 4' ' ' ASN . . . 56.55 24.68 8.97 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tptp 46.23 36.19 3.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 112.875 -1.966 . . . . 0.0 112.626 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 74.94 83.34 0.1 Allowed 'General case' 0 C--N 1.353 0.729 0 O-C-N 125.627 1.83 . . . . 0.0 109.935 -175.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -160.61 -108.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.372 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.7 67.6 Favored 'General case' 0 C--O 1.217 -0.628 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.042 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.47 -48.97 77.29 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.643 -1.223 . . . . 0.0 111.81 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -38.11 89.9 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.023 -1.071 . . . . 0.0 110.403 -168.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 48.8 mmm -79.95 -34.12 39.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.845 -1.979 . . . . 0.0 111.864 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.05 -42.9 69.75 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.606 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 15' ' ' LYS . . . . . 0.425 ' HZ1' HD22 ' S' ' 48' ' ' LEU . 14.0 mptt -52.25 -42.24 63.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.456 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 t -66.05 -45.15 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.17 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -50.03 -48.78 52.55 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 122.21 1.005 . . . . 0.0 111.559 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -63.37 -30.4 49.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -55.23 -51.68 65.82 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.175 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.14 -50.73 72.5 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.259 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.9 67.98 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.099 -1.409 . . . . 0.0 111.774 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.04 -32.48 73.85 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.397 -1.728 . . . . 0.0 111.285 -176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.05 65.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.636 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -25.19 54.86 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.92 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 25' ' ' VAL . . . . . 0.407 HG22 ' CG2' ' S' ' 40' ' ' VAL . 3.3 t -73.05 -30.38 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.083 0.944 . . . . 0.0 110.54 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.09 -19.68 64.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.141 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -62.77 -6.96 4.13 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.768 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' S' ' 29' ' ' GLU . 22.3 ttpp -50.87 -34.32 27.63 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.075 0.464 . . . . 0.0 112.19 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 29' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -68.26 -32.19 72.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 116.958 -1.897 . . . . 0.0 111.148 177.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -88.42 18.28 4.63 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.897 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -67.06 10.64 0.14 Allowed 'General case' 0 CA--C 1.558 1.254 0 CA-C-O 122.19 0.995 . . . . 0.0 113.383 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.02 -19.48 65.22 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.116 163.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 5.3 mmm -113.02 172.56 3.44 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 113.859 -1.519 . . . . 0.0 107.727 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -55.34 127.96 28.46 Favored 'Trans proline' 0 C--N 1.364 1.36 0 C-N-CA 121.691 1.594 . . . . 0.0 115.086 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.98 148.32 25.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 4.1 mt -133.23 85.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-O 122.786 1.279 . . . . 0.0 109.508 176.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.57 -19.43 62.16 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 112.447 -2.161 . . . . 0.0 113.229 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.69 -47.75 21.05 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.47 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.245 -164.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 40' ' ' VAL . . . . . 0.407 ' CG2' HG22 ' S' ' 25' ' ' VAL . 20.5 m -51.1 -39.59 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-N 112.966 -1.925 . . . . 0.0 113.082 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -77.55 -15.96 58.94 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.34 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -28.02 14.55 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 174.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -74.87 -28.16 60.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.057 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 137.58 89.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.139 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.04 117.57 5.18 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 120.99 1.127 . . . . 0.0 110.941 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -58.51 -25.42 62.38 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.784 -173.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -50.94 -20.25 1.28 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 112.704 -2.043 . . . . 0.0 113.522 177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 48' ' ' LEU . . . . . 0.425 HD22 ' HZ1' ' S' ' 15' ' ' LYS . 0.3 OUTLIER -146.72 58.23 1.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.361 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -40.23 60.43 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.146 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -54.66 -44.12 73.0 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.988 -1.914 . . . . 0.0 111.147 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 73.8 t-105 -58.81 -44.07 90.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.063 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.85 -47.01 81.36 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.503 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -50.96 65.94 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 112.948 -1.933 . . . . 0.0 111.415 -175.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.45 -49.03 77.56 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.461 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.502 HH21 ' CD2' ' S' ' 59' ' ' HIS . 6.6 mmm180 -58.88 -35.5 73.09 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -45.18 64.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.066 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.82 -45.27 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.748 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.2 75.58 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.298 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 59' ' ' HIS . . . . . 0.502 ' CD2' HH21 ' S' ' 55' ' ' ARG . 28.7 m170 -74.73 -30.41 61.49 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.936 -1.938 . . . . 0.0 111.238 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mmm-85 -60.38 -49.3 78.15 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.885 1.365 . . . . 0.0 109.015 173.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -51.24 66.76 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.552 176.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.31 74.28 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.402 -1.272 . . . . 0.0 112.004 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -57.69 -59.26 5.47 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.811 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -29.01 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.283 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 65' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' S' ' 67' ' ' SER . 57.7 t30 -65.74 -24.85 67.05 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.361 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 92.1 mt 43.29 -75.98 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.492 1.917 . . . . 0.0 114.988 172.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 67' ' ' SER . . . . . 0.431 ' N ' ' O ' ' S' ' 65' ' ' ASN . 46.5 t -40.23 -37.73 0.68 Allowed 'General case' 0 C--N 1.349 0.56 0 C-N-CA 127.009 2.124 . . . . 0.0 111.759 169.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 64.65 4.29 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.456 -1.702 . . . . 0.0 113.65 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 mt 46.87 85.84 0.16 Allowed Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 124.771 1.294 . . . . 0.0 111.458 -169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.34 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.363 1.297 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.66 125.84 25.6 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 118.224 -1.39 . . . . 0.0 108.339 170.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -124.89 138.34 31.25 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.161 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.93 148.0 21.74 Favored 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 122.051 1.834 . . . . 0.0 110.188 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER 59.88 -174.15 0.11 Allowed 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.631 1.832 . . . . 0.0 110.536 -178.088 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.81 -161.49 0.84 Allowed 'General case' 0 C--N 1.346 0.422 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.465 0 O-C-N 125.346 1.654 . . . . 0.0 107.696 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 14' ' ' ASP . . . . . 0.5 ' O ' HG23 ' S' ' 18' ' ' VAL . 13.7 t70 -54.92 -48.16 73.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.106 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.919 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -30.78 44.47 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 125.143 1.527 . . . . 0.0 111.726 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.44 -37.14 71.45 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.685 1.231 . . . . 0.0 110.643 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 18' ' ' VAL . . . . . 0.5 HG23 ' O ' ' S' ' 14' ' ' ASP . 67.2 t -58.24 -38.3 67.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 CA-C-N 113.468 -1.696 . . . . 0.0 112.022 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' HD2' ' S' ' 55' ' ' ARG . 0.0 OUTLIER -64.28 -39.83 94.74 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.687 -177.615 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.76 -44.64 90.66 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.297 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.79 87.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.541 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' S' ' 56' ' ' LEU . . . -56.53 -42.1 77.88 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.711 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -60.98 -40.71 94.51 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.102 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.1 -38.7 56.51 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 113.141 -1.845 . . . . 0.0 112.326 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.784 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -67.34 -26.71 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 118.629 -1.229 . . . . 0.0 111.733 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -69.6 -16.34 63.38 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.607 -1.178 . . . . 0.0 111.401 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.97 -4.9 10.76 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.409 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.25 -25.31 47.34 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 171.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.84 -35.97 82.37 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 116.105 -2.238 . . . . 0.0 110.434 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.58 32.67 0.71 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 112.713 -2.04 . . . . 0.0 109.99 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -66.2 -3.24 5.31 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.425 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -58.71 -20.09 45.79 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 117.93 -1.508 . . . . 0.0 111.18 165.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.99 169.04 7.15 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.45 126.53 9.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.109 1.206 . . . . 0.0 113.451 -168.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.68 124.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.474 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.1 mt -110.97 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.097 0.873 . . . . 0.0 109.697 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -32.25 64.18 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.624 -1.626 . . . . 0.0 112.689 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -44.57 93.91 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.936 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.474 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -66.6 -57.33 7.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.113 -168.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.784 HG21 HG22 ' S' ' 25' ' ' VAL . 6.3 m -49.29 -47.59 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 113.261 -1.791 . . . . 0.0 112.227 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.91 -44.37 86.77 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.059 -1.056 . . . . 0.0 111.41 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -78.28 -21.5 49.66 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.275 -1.33 . . . . 0.0 111.879 -174.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.44 -34.79 72.86 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.309 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 44' ' ' GLN . . . . . 0.402 HE22 ' C ' ' S' ' 48' ' ' LEU . 5.0 tm0? -71.48 128.48 89.9 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.823 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.13 118.67 5.56 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 113.911 0.696 . . . . 0.0 113.911 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -44.57 -31.68 1.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.024 -1.444 . . . . 0.0 114.115 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -47.46 -48.21 26.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.14 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 48' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 18' ' ' VAL . 0.3 OUTLIER -104.3 29.1 6.28 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.353 -1.749 . . . . 0.0 110.355 -178.229 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -49.18 -38.24 25.14 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.183 0.992 . . . . 0.0 113.27 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -52.44 -43.63 65.01 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.457 -1.702 . . . . 0.0 112.047 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -54.7 -42.66 71.72 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.066 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.2 -43.74 98.16 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 118.769 -1.172 . . . . 0.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.446 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -61.0 -53.06 61.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.326 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.3 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.688 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.419 ' HD2' ' OD1' ' S' ' 19' ' ' ASP . 0.1 OUTLIER -61.3 -31.21 71.04 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.812 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' S' ' 22' ' ' ALA . 0.3 OUTLIER -57.25 -45.39 84.02 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.539 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.1 mp -58.1 -43.11 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 118.935 -1.106 . . . . 0.0 110.722 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.89 92.25 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.318 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 78.5 m-70 -71.79 -26.14 62.3 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 113.845 -1.525 . . . . 0.0 112.237 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.27 -47.27 83.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.464 1.102 . . . . 0.0 108.746 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.2 OUTLIER -54.55 -47.67 72.93 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 125.053 1.471 . . . . 0.0 110.409 176.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.69 66.35 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.576 -1.647 . . . . 0.0 112.598 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 63' ' ' SER . . . . . 0.674 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 53.7 p -77.96 -45.98 22.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 118.232 -1.387 . . . . 0.0 110.445 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.17 -29.49 36.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.869 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.884 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.208 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 80.5 mtp . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 121.561 0.696 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 14' ' ' ASP . . . . . 0.668 ' O ' HG23 ' S' ' 18' ' ' VAL . 28.0 t70 -49.18 -41.25 36.07 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.712 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.52 -44.62 93.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.301 -1.772 . . . . 0.0 110.701 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -37.75 81.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 118.374 -1.331 . . . . 0.0 110.362 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -58.87 -41.51 87.22 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.576 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 18' ' ' VAL . . . . . 0.762 HG21 HD22 ' S' ' 48' ' ' LEU . 39.7 t -62.3 -31.95 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.135 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.49 -45.33 94.68 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.109 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.45 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -56.11 -52.49 64.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 113.272 -1.785 . . . . 0.0 110.246 175.256 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.45 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -59.02 -53.81 54.24 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.738 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.98 80.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.39 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.01 79.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.928 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.37 -28.71 55.72 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 113.912 -1.494 . . . . 0.0 112.695 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.516 HG21 HG11 ' S' ' 40' ' ' VAL . 7.6 t -67.58 -33.22 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 119.215 -0.994 . . . . 0.0 110.677 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.17 66.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.239 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 27' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' S' ' 35' ' ' VAL . 15.1 t80 -61.95 -6.84 3.12 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.868 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -50.2 -24.86 3.1 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 170.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -36.67 68.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 117.304 -1.759 . . . . 0.0 110.58 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -87.64 26.6 1.26 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.079 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 31' ' ' TYR . . . . . 0.456 ' HA ' HG12 ' S' ' 35' ' ' VAL . 39.0 t80 -64.41 -2.04 2.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.827 0.822 . . . . 0.0 113.148 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -53.84 -25.74 21.09 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.161 166.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.5 mmm -111.21 166.08 11.49 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.152 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.94 112.1 3.32 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 120.302 0.668 . . . . 0.0 112.654 -167.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 35' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' S' ' 27' ' ' PHE . 14.9 p -139.86 119.16 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 113.901 -1.499 . . . . 0.0 108.446 171.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.49 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.4 mt -101.73 100.79 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.53 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 37' ' ' ALA . . . . . 0.473 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -62.27 -48.51 79.57 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.011 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.64 -37.91 52.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.917 -175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.49 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -58.19 -30.38 66.4 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.393 -1.731 . . . . 0.0 111.429 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.516 HG11 HG21 ' S' ' 25' ' ' VAL . 0.9 OUTLIER -58.47 -43.83 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 122.3 1.048 . . . . 0.0 111.374 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -68.79 -33.66 74.24 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.385 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -71.29 -34.29 70.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.953 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -74.57 -29.57 61.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.627 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 44' ' ' GLN . . . . . 0.652 ' NE2' HG22 ' S' ' 18' ' ' VAL . 2.2 mm100 -117.39 92.56 40.67 Favored Pre-proline 0 CA--C 1.554 1.107 0 O-C-N 124.104 0.878 . . . . 0.0 110.333 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -53.57 152.04 22.61 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.306 2.004 . . . . 0.0 116.207 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -48.51 -23.75 1.07 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.537 -1.665 . . . . 0.0 114.475 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -23.08 13.85 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 48' ' ' LEU . . . . . 0.762 HD22 HG21 ' S' ' 18' ' ' VAL . 3.2 pp -116.05 25.17 10.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.884 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 49' ' ' ARG . . . . . 0.613 ' HD3' HH12 ' S' ' 53' ' ' ARG . 0.0 OUTLIER -55.37 -31.0 61.41 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.4 p -66.16 -48.77 69.68 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.615 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -57.22 -51.44 69.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.554 -1.657 . . . . 0.0 110.373 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -57.45 -41.32 80.27 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.294 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.613 HH12 ' HD3' ' S' ' 49' ' ' ARG . 0.0 OUTLIER -56.28 -59.07 5.47 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.976 178.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.89 -41.92 78.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.763 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -38.52 90.02 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.026 -1.897 . . . . 0.0 111.764 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.422 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.2 OUTLIER -49.69 -42.16 45.02 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.954 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.7 -35.06 63.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.118 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.67 71.47 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 123.161 1.457 . . . . 0.0 110.456 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -74.57 -36.86 63.05 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.124 -170.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -59.72 -43.54 94.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.133 -1.427 . . . . 0.0 110.335 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.92 -49.99 71.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.263 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.65 76.63 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.853 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -60.61 -48.75 80.39 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.633 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.26 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.858 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 118.032 -1.467 . . . . 0.0 111.47 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 13.1 mmt . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 120.754 0.311 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -55.79 -44.51 77.83 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.023 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -60.87 -39.38 88.98 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.288 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.47 -32.78 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.323 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.2 -46.21 89.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.084 0.945 . . . . 0.0 109.155 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.44 -39.04 73.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.372 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.71 -27.27 64.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.414 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 -58.37 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 126.554 2.409 . . . . 0.0 110.658 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.5 -43.25 75.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.839 1.304 . . . . 0.0 111.846 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -14.03 46.01 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.755 -2.021 . . . . 0.0 112.573 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.06 23.81 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 121.766 0.793 . . . . 0.0 110.123 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.82 57.27 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.966 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.98 HG22 HG21 ' S' ' 40' ' ' VAL . 2.9 t -56.71 -41.27 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.405 -1.397 . . . . 0.0 111.734 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.87 59.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 113.934 -1.485 . . . . 0.0 110.408 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -62.42 0.93 0.4 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 113.822 -1.535 . . . . 0.0 112.834 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -45.28 -32.7 2.08 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.73 -9.96 41.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 116.832 -1.947 . . . . 0.0 112.025 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 28.7 8.54 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.595 1.558 . . . . 0.0 109.138 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -70.63 5.04 2.04 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.271 1.034 . . . . 0.0 113.021 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -61.93 -16.8 53.75 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.801 160.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.92 148.73 39.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -63.11 116.97 3.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 120.788 0.992 . . . . 0.0 113.139 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.82 97.97 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 122.915 1.34 . . . . 0.0 108.901 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.51 91.71 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.653 -1.612 . . . . 0.0 109.676 -173.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.21 17.72 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 113.528 -1.669 . . . . 0.0 114.045 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -46.34 56.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.084 0.945 . . . . 0.0 110.517 173.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.01 90.45 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.01 -161.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.98 HG21 HG22 ' S' ' 25' ' ' VAL . 13.2 m -47.06 -39.54 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.547 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.88 -11.56 58.1 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.383 -173.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -86.14 -45.35 11.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.207 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.88 -46.65 80.9 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.125 -1.852 . . . . 0.0 111.861 -175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -68.27 135.36 91.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.217 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.75 124.78 16.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 1.1 . . . . 0.0 114.403 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.73 -29.37 62.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.64 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -70.51 11.05 0.39 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.55 34.01 0.7 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.309 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.81 -46.72 10.79 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.239 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -49.6 -42.38 44.47 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.195 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -65.22 -41.4 94.45 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.105 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.87 -43.79 97.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.514 -1.675 . . . . 0.0 110.432 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -62.75 -45.53 92.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.635 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -53.73 -50.55 65.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.244 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -66.53 -31.08 71.58 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 112.216 -2.265 . . . . 0.0 112.008 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -46.46 87.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.226 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.47 -52.46 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.902 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.06 63.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.065 -1.88 . . . . 0.0 111.832 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -74.98 -22.54 58.49 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 113.484 -1.689 . . . . 0.0 112.413 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -66.76 -48.01 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 117.055 -1.858 . . . . 0.0 109.129 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.77 -45.0 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.861 -1.972 . . . . 0.0 111.712 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.33 98.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.601 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.52 -171.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 24.1 m -64.87 -49.05 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 118.04 -1.464 . . . . 0.0 110.502 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 CA--C 1.548 0.9 0 C-N-CA 117.615 -1.634 . . . . 0.0 112.183 -177.525 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.5 mmm . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 122.751 1.262 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -51.28 -44.23 61.79 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.651 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -54.95 -49.61 70.93 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.574 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 m -67.89 -36.52 75.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 C-N-CA 119.106 -1.038 . . . . 0.0 111.645 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.27 -48.66 78.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.355 1.074 . . . . 0.0 111.047 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.82 -32.97 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.298 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.37 -45.15 92.22 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.362 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.472 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.41 -52.71 58.48 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.018 172.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.472 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.62 -54.34 48.16 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.097 -1.865 . . . . 0.0 112.001 -172.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -43.92 88.24 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.411 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.62 76.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.379 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -35.86 63.1 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.901 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.543 HG22 HG12 ' S' ' 40' ' ' VAL . 12.2 t -70.63 -25.62 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 118.651 -1.219 . . . . 0.0 111.616 177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -67.66 -19.74 65.23 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.197 0.999 . . . . 0.0 111.34 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.63 -4.67 4.4 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.613 -1.63 . . . . 0.0 112.007 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.84 -24.54 62.2 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -68.9 -33.91 74.55 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 117.193 -1.803 . . . . 0.0 110.51 172.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -86.81 19.41 2.98 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.495 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 31' ' ' TYR . . . . . 0.485 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.4 t80 -68.19 6.35 0.77 Allowed 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.401 1.096 . . . . 0.0 112.87 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.06 -27.66 61.89 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 118.062 -1.455 . . . . 0.0 110.607 160.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtm -112.7 177.09 1.26 Allowed Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.218 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.8 125.78 20.24 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 121.216 1.277 . . . . 0.0 115.058 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 35' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.3 OUTLIER -136.87 136.42 47.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 166.089 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.45 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.8 mt -95.62 90.78 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 118.752 -1.179 . . . . 0.0 109.216 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.62 -19.94 64.28 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 113.659 -1.609 . . . . 0.0 113.056 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -35.0 65.44 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.834 0.825 . . . . 0.0 110.696 173.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.45 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -61.36 -35.37 77.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.039 -170.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.543 HG12 HG22 ' S' ' 25' ' ' VAL . 1.1 m -40.84 -50.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 O-C-N 124.967 1.417 . . . . 0.0 112.114 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.38 -37.37 66.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.656 -1.611 . . . . 0.0 110.744 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -78.72 -21.3 48.28 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.684 -1.143 . . . . 0.0 112.025 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 43' ' ' GLU . . . . . 0.435 ' HB3' ' HB1' ' S' ' 21' ' ' ALA . 52.2 mt-10 -78.82 -25.17 44.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.551 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 44' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' S' ' 52' ' ' PHE . 6.7 pt20 -101.59 91.04 2.02 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.241 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.85 146.87 84.4 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 N-CA-C 108.002 -1.576 . . . . 0.0 108.002 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -49.44 -27.35 4.1 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.912 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -13.23 22.38 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.77 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 48' ' ' LEU . . . . . 0.48 HD12 ' O ' ' S' ' 48' ' ' LEU . 4.6 pp -151.15 23.94 0.73 Allowed 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.734 0.647 . . . . 0.0 112.158 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -52.6 -36.48 56.31 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.231 1.015 . . . . 0.0 112.852 -168.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -58.68 -47.44 84.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.089 -1.868 . . . . 0.0 111.798 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -57.92 -52.39 65.68 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.374 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 52' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' S' ' 44' ' ' GLN . 22.8 t80 -55.3 -52.35 63.74 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.906 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.423 ' O ' HD12 ' S' ' 57' ' ' ILE . 4.5 tmt_? -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.502 -171.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -45.26 81.6 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 122.774 1.273 . . . . 0.0 109.751 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.437 HH11 ' CG ' ' S' ' 55' ' ' ARG . 0.0 OUTLIER -61.03 -33.35 73.15 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 113.023 -1.899 . . . . 0.0 111.591 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.515 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.01 -43.96 66.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.115 0.885 . . . . 0.0 110.802 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.423 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.4 mp -62.57 -51.36 73.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.419 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.76 65.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.652 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -79.16 -27.68 42.73 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.488 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.78 -45.41 89.85 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.349 -1.34 . . . . 0.0 109.541 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.24 -33.67 76.27 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.491 -1.686 . . . . 0.0 110.625 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.07 87.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.255 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 63' ' ' SER . . . . . 0.575 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 99.1 p -77.2 -19.06 57.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.768 -169.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.86 -46.43 17.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 125.998 2.061 . . . . 0.0 109.883 166.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.778 0 C-N-CA 118.684 -1.206 . . . . 0.0 112.66 -173.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.59 -38.15 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.742 0.782 . . . . 0.0 112.197 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -58.16 -36.16 72.61 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.32 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -42.67 45.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.038 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -43.53 61.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.951 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.09 -44.41 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 112.954 -1.93 . . . . 0.0 111.818 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -42.38 97.93 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.935 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.442 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -49.47 -48.19 47.92 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.443 175.682 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.442 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.47 -42.17 86.86 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.73 77.01 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.747 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -57.84 -38.35 75.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.032 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.98 -36.02 71.68 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.564 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.698 ' CG2' HG21 ' S' ' 40' ' ' VAL . 2.2 t -70.78 -35.17 59.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 114.272 -0.964 . . . . 0.0 110.38 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.15 83.72 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 116.869 -1.932 . . . . 0.0 109.746 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.31 17.15 0.2 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 112.258 -2.246 . . . . 0.0 112.765 175.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG11 ' S' ' 35' ' ' VAL . 0.0 OUTLIER -61.06 -10.18 5.69 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 171.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.09 -15.1 8.22 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.096 168.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -61.95 14.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.934 163.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.42 -14.74 62.6 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.405 1.457 . . . . 0.0 112.455 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -13.82 60.94 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 122.356 1.074 . . . . 0.0 111.073 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtm -126.93 -161.8 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -99.05 129.3 0.19 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 120.966 1.111 . . . . 0.0 112.041 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 35' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' S' ' 28' ' ' LYS . 4.2 p -152.06 109.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.564 171.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.413 HG22 ' H ' ' S' ' 39' ' ' ALA . 5.7 mt -85.65 89.98 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.651 -176.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 37' ' ' ALA . . . . . 0.514 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -51.45 -62.16 1.79 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.92 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 38' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' S' ' 38' ' ' GLU . 1.9 pm0 -46.12 -43.13 14.61 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.597 -1.183 . . . . 0.0 113.718 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.413 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -56.46 -29.88 62.24 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.935 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.698 HG21 ' CG2' ' S' ' 25' ' ' VAL . 2.2 p -54.36 -42.36 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 122.649 1.214 . . . . 0.0 112.006 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.79 -46.23 79.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.392 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -65.8 -27.11 68.02 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.246 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.25 -35.57 81.45 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.634 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -89.34 116.94 67.64 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.142 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -40.01 121.5 0.97 Allowed 'Trans proline' 0 CA--C 1.549 1.271 0 N-CA-C 115.633 1.359 . . . . 0.0 115.633 166.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.25 -24.17 10.64 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.468 -1.696 . . . . 0.0 113.544 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -27.03 11.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.569 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.81 38.92 3.01 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.208 177.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -57.04 -30.95 64.68 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.436 1.113 . . . . 0.0 112.174 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.0 m -55.19 -31.16 61.18 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.497 -1.683 . . . . 0.0 114.261 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -64.93 -47.3 78.18 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.141 1.525 . . . . 0.0 108.459 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 52' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' S' ' 40' ' ' VAL . 3.9 t80 -59.52 -50.06 75.39 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.97 -1.923 . . . . 0.0 110.871 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.456 ' O ' HD12 ' S' ' 57' ' ' ILE . 2.7 tmm_? -51.6 -50.57 59.93 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 112.538 -2.119 . . . . 0.0 110.283 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -45.22 89.83 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 118.043 -1.463 . . . . 0.0 110.094 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.55 68.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 112.843 -1.981 . . . . 0.0 111.306 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.506 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.1 OUTLIER -55.71 -47.18 77.28 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 124.118 0.886 . . . . 0.0 110.687 177.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.456 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.2 mp -62.28 -41.27 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.406 1.066 . . . . 0.0 109.823 -177.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.32 95.96 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.522 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.514 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 23.5 m-70 -68.46 -42.06 79.32 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.526 -175.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -31.21 72.32 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 117.287 -1.765 . . . . 0.0 110.245 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -44.07 82.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 122.489 1.138 . . . . 0.0 110.118 176.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.3 -37.27 72.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.197 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -59.23 -61.43 2.64 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.274 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -32.44 51.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.763 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.635 -178.628 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 121.4 0.619 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' HZ3' ' S' ' 15' ' ' LYS . 98.5 m-20 -54.9 -23.74 20.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 119.381 -0.928 . . . . 0.0 112.75 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 15' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' S' ' 14' ' ' ASP . 3.0 mmpm? -66.65 -34.67 78.4 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.814 178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.72 -40.88 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.385 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.56 -41.87 70.31 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.552 -1.203 . . . . 0.0 111.831 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 18' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' S' ' 52' ' ' PHE . 2.6 t -52.73 -43.66 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.303 174.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.01 -48.82 77.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.98 -41.77 99.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.655 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.98 79.24 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.263 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.41 78.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.64 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -61.56 -36.28 80.18 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.687 176.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.94 -39.74 69.86 Favored Glycine 0 CA--C 1.538 1.502 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.923 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.11 -33.25 62.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.04 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' S' ' 63' ' ' SER . . . -63.01 -19.42 64.33 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 121.67 0.748 . . . . 0.0 112.367 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 27' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' S' ' 35' ' ' VAL . 28.9 t80 -68.19 -3.43 10.59 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.677 172.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -13.8 5.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -74.97 -36.75 62.03 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.932 1.348 . . . . 0.0 110.483 170.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -89.21 17.88 5.59 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.638 -2.074 . . . . 0.0 110.76 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 31' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' S' ' 35' ' ' VAL . 0.1 OUTLIER -64.13 1.6 0.69 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 177.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.56 -22.05 66.05 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.809 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mmt -108.8 167.08 9.69 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 113.296 -1.774 . . . . 0.0 106.244 169.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.96 116.52 4.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 120.199 0.6 . . . . 0.0 112.107 -170.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 35' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' S' ' 27' ' ' PHE . 12.0 p -144.05 117.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.215 174.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.92 94.31 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.753 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.9 -9.68 40.63 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 113.795 -1.548 . . . . 0.0 112.966 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.63 -27.4 62.12 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.074 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.15 -40.85 61.98 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.048 0.843 . . . . 0.0 111.913 -165.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' S' ' 52' ' ' PHE . 0.1 OUTLIER -41.59 -57.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.472 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.555 172.734 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.1 -41.87 97.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.181 -171.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.97 -35.69 80.52 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.672 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.12 22.67 9.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.622 -1.627 . . . . 0.0 110.312 -174.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.23 103.06 53.1 Favored Pre-proline 0 C--N 1.346 0.422 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -57.69 124.58 16.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 N-CA-C 109.905 -0.844 . . . . 0.0 109.905 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.91 30.12 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.856 1.313 . . . . 0.0 112.157 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -59.36 -26.38 65.03 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.896 -2.411 . . . . 0.0 113.056 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 46.52 1.68 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.943 0.877 . . . . 0.0 110.957 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -58.1 -32.35 68.01 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 117.554 -1.659 . . . . 0.0 112.638 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.7 p -62.6 -35.94 81.16 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.411 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.62 -47.95 83.57 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.781 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 52' ' ' PHE . . . . . 0.626 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.5 OUTLIER -63.23 -52.95 60.11 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 126.042 2.089 . . . . 0.0 109.976 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -50.57 -56.71 10.48 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.705 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.62 -41.92 82.28 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.27 0.981 . . . . 0.0 110.659 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.38 74.93 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 118.454 -1.298 . . . . 0.0 111.199 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.463 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.13 -40.19 64.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.245 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.71 -44.34 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 118.973 -1.091 . . . . 0.0 109.759 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.05 84.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.243 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.429 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 89.7 m-70 -74.23 -25.82 59.88 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 113.206 -1.816 . . . . 0.0 112.768 -177.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -66.87 -46.58 74.54 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.741 172.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.7 -46.26 70.67 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.295 1.622 . . . . 0.0 109.656 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.91 91.71 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.369 -1.741 . . . . 0.0 112.256 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 63' ' ' SER . . . . . 0.456 ' HB2' ' HB1' ' S' ' 26' ' ' ALA . 0.7 OUTLIER -61.73 -51.71 67.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 118.789 -1.165 . . . . 0.0 111.404 -176.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.39 -31.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.156 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.543 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.118 0.485 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -46.42 -38.91 9.67 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -57.67 -42.73 84.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.18 -39.84 79.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 117.495 -1.682 . . . . 0.0 109.682 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -57.1 -45.69 83.19 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.915 -1.493 . . . . 0.0 110.218 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.07 -34.93 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 112.856 -1.974 . . . . 0.0 111.698 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -63.61 -41.17 98.33 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 122.041 0.924 . . . . 0.0 110.323 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.99 -38.02 87.42 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.335 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.1 70.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.336 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -27.68 64.2 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.652 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.17 63.89 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.528 0.68 . . . . 0.0 110.33 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.78 67.9 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.583 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.554 HG22 ' CG1' ' S' ' 40' ' ' VAL . 10.7 t -63.53 -49.84 80.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.85 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -43.48 29.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.431 1.11 . . . . 0.0 112.133 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -59.08 -5.12 0.6 Allowed 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 111.582 -2.554 . . . . 0.0 113.945 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -16.24 5.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 164.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.53 -28.54 68.5 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.455 1.122 . . . . 0.0 111.105 173.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -102.66 36.39 2.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.806 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.16 -17.33 6.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.34 76.17 3.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 117.623 -1.631 . . . . 0.0 108.437 160.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mtm 152.28 151.27 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 131.472 3.909 . . . . 0.0 105.024 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.64 121.67 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 120.854 1.036 . . . . 0.0 112.482 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.8 113.4 22.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -83.93 74.63 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.122 -169.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.54 52.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 113.608 -1.633 . . . . 0.0 113.717 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.61 -35.0 79.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 119.162 -1.015 . . . . 0.0 112.399 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -22.89 66.56 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.816 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.554 ' CG1' HG22 ' S' ' 25' ' ' VAL . 2.8 m -59.67 -29.78 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.679 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -88.6 -12.71 41.86 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.892 -1.504 . . . . 0.0 112.249 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -99.9 -39.77 8.01 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.22 0.95 . . . . 0.0 110.674 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.25 -46.09 88.5 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.523 -1.672 . . . . 0.0 109.878 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -65.84 109.66 3.49 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 112.006 -2.361 . . . . 0.0 110.719 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -78.39 139.98 16.87 Favored 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-O 121.952 0.73 . . . . 0.0 111.325 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -35.95 0.63 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 113.683 -1.599 . . . . 0.0 114.897 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.24 18.23 0.16 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -150.54 30.01 0.68 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.616 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -52.1 -38.86 58.7 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.241 1.02 . . . . 0.0 112.11 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 -55.41 28.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.141 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.16 -51.15 71.26 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 111.553 -2.567 . . . . 0.0 111.158 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -64.64 -38.16 90.07 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 117.786 -1.565 . . . . 0.0 110.654 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' S' ' 53' ' ' ARG . 0.3 OUTLIER -59.24 -48.6 81.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.875 175.202 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.08 -49.55 68.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.651 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -70.08 -26.64 64.09 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 112.863 -1.972 . . . . 0.0 111.742 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.31 -45.62 87.15 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.565 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 70.5 mt -57.56 -52.79 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.409 1.1 . . . . 0.0 109.842 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.95 72.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.221 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.66 -15.78 47.57 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.72 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -68.89 -47.02 66.88 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 168.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.5 -39.65 84.53 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.952 -1.931 . . . . 0.0 110.755 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.17 79.79 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.213 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -49.79 -46.78 51.2 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.064 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.0 -39.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 111.586 -174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.353 0.733 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.791 -177.438 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 122.222 1.01 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.93 -45.66 82.57 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 122.764 1.269 . . . . 0.0 111.096 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.473 -2.149 . . . . 0.0 111.351 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.98 86.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 118.142 -1.423 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.3 -43.47 98.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.274 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 18' ' ' VAL . . . . . 0.605 HG22 ' OE1' ' S' ' 44' ' ' GLN . 95.4 t -54.63 -39.25 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.589 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.28 -42.25 75.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 112.911 -1.95 . . . . 0.0 111.076 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.569 HD23 ' N ' ' S' ' 21' ' ' ALA . 0.2 OUTLIER -51.15 -47.73 62.0 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 125.514 1.759 . . . . 0.0 109.904 175.504 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.569 ' N ' HD23 ' S' ' 20' ' ' LEU . . . -62.23 -45.62 92.53 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.682 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.17 76.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.296 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.88 91.41 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.928 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.86 -31.79 55.03 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.922 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' S' ' 40' ' ' VAL . 2.4 t -71.82 -25.73 24.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.121 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.92 65.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 118.321 -1.351 . . . . 0.0 111.107 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.21 -3.92 1.52 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 112.897 -1.956 . . . . 0.0 112.062 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -52.03 -27.6 14.21 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.6 -33.51 76.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.753 -1.579 . . . . 0.0 111.141 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -80.4 45.16 0.74 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.635 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.56 3.94 10.35 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.481 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -65.75 -15.71 63.09 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.814 161.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtt -121.12 171.32 6.1 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 113.095 -1.866 . . . . 0.0 106.306 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.09 125.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 1.184 . . . . 0.0 111.785 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.5 139.3 32.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 174.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.05 99.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 122.305 1.05 . . . . 0.0 109.677 -176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.85 -17.05 64.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.571 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.79 -38.65 67.17 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.744 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 -42.42 86.97 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 122.303 1.049 . . . . 0.0 110.945 -164.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' S' ' 25' ' ' VAL . 0.0 OUTLIER -55.63 -54.13 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 113.367 -1.742 . . . . 0.0 111.455 171.144 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.57 -33.35 71.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.507 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -82.42 -29.34 30.8 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.313 1.008 . . . . 0.0 110.383 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -76.79 -46.5 24.79 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.526 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 44' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' S' ' 18' ' ' VAL . 68.0 mm-40 -77.67 123.78 86.56 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.437 -1.71 . . . . 0.0 108.972 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -68.03 136.78 39.05 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 N-CA-C 109.813 -0.88 . . . . 0.0 109.813 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -49.24 -26.52 3.01 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 113.72 -1.582 . . . . 0.0 112.75 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -26.07 26.21 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.629 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.37 26.17 7.44 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.061 0.851 . . . . 0.0 111.702 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -48.85 -41.52 33.38 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.2 t -54.73 -45.72 74.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.63 -51.98 62.83 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.268 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -55.27 -46.24 76.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.976 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.445 ' O ' HD12 ' S' ' 57' ' ' ILE . 3.2 tpm_? -65.31 -48.52 72.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.944 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.44 -50.72 67.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 123.329 1.538 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -39.32 90.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 112.073 -2.33 . . . . 0.0 111.514 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.431 HD13 ' N ' ' S' ' 57' ' ' ILE . 0.1 OUTLIER -50.14 -46.43 53.89 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.832 0.708 . . . . 0.0 111.216 176.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.445 HD12 ' O ' ' S' ' 53' ' ' ARG . 2.7 mp -57.66 -47.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.309 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.03 71.69 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.816 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -68.35 -24.49 64.82 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 113.567 -1.651 . . . . 0.0 111.841 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.79 -43.25 84.41 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.856 -1.538 . . . . 0.0 110.879 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.56 -49.7 76.5 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.564 -1.653 . . . . 0.0 108.795 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.2 64.23 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.334 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -66.06 -39.18 89.89 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.203 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.56 -41.57 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 117.73 -1.588 . . . . 0.0 109.499 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 p30 . . . . . 0 C--N 1.352 0.715 0 CA-C-N 114.264 -1.334 . . . . 0.0 112.59 -178.648 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.45 -45.04 81.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 123.115 1.436 . . . . 0.0 110.252 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -32.88 67.73 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.861 -2.427 . . . . 0.0 111.895 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 83.6 t -77.56 -39.72 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 O-C-N 124.349 1.031 . . . . 0.0 111.36 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -53.12 -49.15 67.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 123.608 1.671 . . . . 0.0 110.984 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 18' ' ' VAL . . . . . 0.426 HG12 HH11 ' S' ' 55' ' ' ARG . 70.1 t -62.17 -21.14 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.44 0 CA-C-N 111.843 -2.435 . . . . 0.0 111.753 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -50.01 65.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 121.916 0.865 . . . . 0.0 108.909 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.06 -43.06 99.65 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.512 -2.131 . . . . 0.0 109.573 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.76 72.31 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.988 -1.46 . . . . 0.0 111.465 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.44 88.03 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.782 -1.553 . . . . 0.0 112.318 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 23' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -58.26 -41.23 83.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.123 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 -41.71 67.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.985 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.557 HG21 HG23 ' S' ' 40' ' ' VAL . 5.1 t -74.82 -21.31 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 118.075 -1.45 . . . . 0.0 111.811 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -22.94 66.81 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.403 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.73 -0.65 1.06 Allowed 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.173 -1.376 . . . . 0.0 112.402 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -56.33 -23.75 39.33 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.63 -30.53 70.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 117.278 -1.769 . . . . 0.0 111.515 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 5.29 36.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.902 -1.954 . . . . 0.0 112.025 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -44.52 -17.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.546 2.738 . . . . 0.0 115.712 -172.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -26.57 3.61 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.339 167.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.64 159.59 32.68 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 126.925 2.09 . . . . 0.0 107.936 170.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.13 132.53 42.14 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 122.168 1.912 . . . . 0.0 115.542 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.23 129.06 19.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mt -85.69 82.03 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.202 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.34 86.87 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.374 -1.284 . . . . 0.0 112.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.28 -32.27 47.84 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.924 0.868 . . . . 0.0 112.335 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -25.54 68.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.357 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.557 HG23 HG21 ' S' ' 25' ' ' VAL . 1.4 p -55.01 -38.26 45.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 122.271 1.034 . . . . 0.0 111.673 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -83.01 -43.54 16.24 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.252 -1.794 . . . . 0.0 109.723 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -67.23 -29.95 69.73 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.246 -1.343 . . . . 0.0 112.263 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 8.69 21.55 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.573 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.9 109.12 62.87 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.533 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.36 127.82 14.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 N-CA-C 108.877 -1.24 . . . . 0.0 108.877 169.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -49.39 -34.67 16.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.91 -1.495 . . . . 0.0 112.406 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 47' ' ' HIS . . . . . 0.445 ' HB2' HD23 ' S' ' 48' ' ' LEU . 13.6 m170 -42.05 -29.77 0.24 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 111.689 -2.505 . . . . 0.0 113.433 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 48' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.2 OUTLIER -143.28 59.99 1.4 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.059 -178.53 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -29.16 68.25 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 113.89 -1.504 . . . . 0.0 113.116 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -73.57 -26.22 60.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 117.232 -1.787 . . . . 0.0 111.306 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -67.11 -52.45 41.66 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.944 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 52' ' ' PHE . . . . . 0.41 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.7 OUTLIER -61.16 -44.85 96.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.173 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.55 ' HE ' HD23 ' S' ' 56' ' ' LEU . 0.9 OUTLIER -60.59 -53.84 52.66 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 117.846 -1.542 . . . . 0.0 110.605 -171.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.54 -49.58 74.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 113.866 -1.516 . . . . 0.0 110.988 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.426 HH11 HG12 ' S' ' 18' ' ' VAL . 6.2 ptm180 -67.08 -23.83 65.89 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 117.458 -1.697 . . . . 0.0 112.328 -174.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 56' ' ' LEU . . . . . 0.55 HD23 ' HE ' ' S' ' 53' ' ' ARG . 0.3 OUTLIER -60.18 -37.4 80.07 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.066 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.25 -36.85 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.216 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.18 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.048 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 7.6 m-70 -67.97 -45.17 74.95 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.447 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.55 -36.9 77.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.711 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.408 HD22 ' O ' ' S' ' 61' ' ' LEU . 0.2 OUTLIER -59.1 -44.43 91.96 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.377 175.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.87 70.39 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.786 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -51.84 -50.4 60.96 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.197 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.5 -39.16 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.52 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--O 1.22 -0.474 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.424 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 121.575 0.702 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.08 -47.5 65.16 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.056 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -67.44 -35.14 78.65 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.253 -1.794 . . . . 0.0 111.617 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 14.5 t -63.22 -40.29 88.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.821 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -55.98 -44.37 78.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 118.494 -1.282 . . . . 0.0 111.192 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.61 -38.28 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.772 -1.558 . . . . 0.0 111.628 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 19' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' S' ' 22' ' ' ALA . 26.3 t0 -54.75 -53.68 51.9 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.367 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.15 -40.45 85.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.71 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.574 ' O ' HG23 ' S' ' 25' ' ' VAL . . . -54.01 -40.19 66.77 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.585 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' S' ' 19' ' ' ASP . . . -55.23 -46.28 75.99 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.011 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 23' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -57.74 -45.89 85.23 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.757 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -34.76 61.87 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 112.574 -2.103 . . . . 0.0 113.064 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.776 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -75.32 -35.41 33.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 118.373 -1.331 . . . . 0.0 110.294 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.29 66.91 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.352 1.072 . . . . 0.0 111.528 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.36 0.7 0.26 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.377 -1.738 . . . . 0.0 113.213 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -51.06 -24.38 3.84 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 163.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -32.5 73.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 116.29 -2.164 . . . . 0.0 111.61 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 -89.2 19.08 4.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.508 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 31' ' ' TYR . . . . . 0.588 ' HA ' HG12 ' S' ' 35' ' ' VAL . 1.0 OUTLIER -64.04 -4.64 3.63 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -19.34 63.31 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.219 167.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 164.19 15.98 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 168.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.19 112.12 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 122.424 0.697 . . . . 0.0 113.035 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 35' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' S' ' 31' ' ' TYR . 9.5 p -141.88 110.77 2.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 169.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.664 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.8 mt -93.33 111.11 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 113.612 -1.631 . . . . 0.0 108.474 -177.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.26 -17.84 63.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 112.588 -2.096 . . . . 0.0 112.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -54.83 6.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.185 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.664 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -54.65 -47.73 73.17 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.588 -170.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.776 HG21 HG22 ' S' ' 25' ' ' VAL . 6.4 m -50.08 -44.86 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 113.706 -1.588 . . . . 0.0 112.077 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -73.56 -25.9 60.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.76 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -82.25 -20.9 36.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.201 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -82.89 -0.68 49.48 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.856 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 44' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' S' ' 44' ' ' GLN . 0.0 OUTLIER -87.9 133.99 36.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.84 122.02 10.76 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 119.97 0.447 . . . . 0.0 111.75 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.06 -28.6 10.73 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.848 1.309 . . . . 0.0 112.862 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -53.95 -15.99 1.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 112.307 -2.224 . . . . 0.0 114.279 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.92 42.62 1.13 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 121.667 0.746 . . . . 0.0 112.428 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -53.41 -41.35 65.91 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.337 1.065 . . . . 0.0 112.851 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 35.9 m -59.43 -33.58 71.44 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.304 -1.771 . . . . 0.0 112.399 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.49 -42.86 99.78 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -46.89 84.92 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.726 -2.034 . . . . 0.0 110.5 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -55.81 -41.85 74.8 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.618 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.17 -51.43 69.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.31 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -68.89 -26.32 65.05 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.672 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.45 -46.69 86.05 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.842 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -58.3 -44.06 87.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 117.917 -1.513 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.02 79.36 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.719 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 23.9 m-70 -71.54 -28.19 63.7 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 113.631 -1.622 . . . . 0.0 112.594 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -64.82 -44.57 89.43 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.47 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.06 -48.56 67.58 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.886 1.366 . . . . 0.0 110.483 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.76 84.08 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.408 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -62.79 -47.03 85.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.414 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.35 -29.42 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 117.279 -1.768 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 . . . . . 0 C--N 1.35 0.606 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.154 175.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mtt . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.527 0.679 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.24 -38.55 71.24 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.062 1.411 . . . . 0.0 111.328 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' CZ2' ' S' ' 51' ' ' TRP . 14.4 mtpp -71.17 -28.2 64.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.947 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.41 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -36.31 80.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 118.0 -1.48 . . . . 0.0 110.953 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.45 -40.26 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -41.8 93.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.442 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 20' ' ' LEU . . . . . 0.425 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.38 -51.18 63.35 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.238 0.961 . . . . 0.0 110.776 176.381 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 21' ' ' ALA . . . . . 0.425 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.7 -45.78 88.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.29 79.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.107 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 23' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -59.51 -41.89 90.95 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.97 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.77 -32.28 54.69 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-N 112.438 -2.165 . . . . 0.0 113.262 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.823 HG22 HG21 ' S' ' 40' ' ' VAL . 2.7 t -72.55 -39.88 62.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-O 122.068 0.937 . . . . 0.0 110.219 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.29 75.19 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.122 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.72 33.06 0.25 Allowed 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.949 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.8 -8.03 32.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.368 0.604 . . . . 0.0 111.598 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.75 -17.62 24.61 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.365 1.079 . . . . 0.0 111.71 168.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -64.09 15.61 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.404 163.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -62.54 -16.76 57.67 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 120.52 1.509 . . . . 0.0 111.704 172.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -64.22 -11.0 26.9 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 113.74 -1.573 . . . . 0.0 112.443 169.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ptm -137.48 -167.42 0.15 Allowed Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 127.319 2.248 . . . . 0.0 105.069 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -86.01 126.36 2.84 Favored 'Trans proline' 0 C--N 1.363 1.313 0 C-N-CA 120.596 0.864 . . . . 0.0 113.327 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.27 141.44 28.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 169.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.449 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.0 mt -136.51 111.49 10.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 124.741 1.275 . . . . 0.0 108.977 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.01 70.56 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.941 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -66.82 -46.97 73.47 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.368 173.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.449 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -63.78 -48.1 78.25 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.972 -166.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.823 HG21 HG22 ' S' ' 25' ' ' VAL . 15.7 m -54.68 -49.92 64.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-N 113.095 -1.866 . . . . 0.0 111.968 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -60.68 -34.72 74.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.59 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -27.83 30.64 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.598 -176.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -72.18 -36.68 69.32 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.723 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 137.15 96.38 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.059 173.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.92 115.4 4.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 120.706 0.937 . . . . 0.0 111.367 172.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -48.48 -27.7 2.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.473 -1.239 . . . . 0.0 113.399 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 47' ' ' HIS . . . . . 0.433 ' HB2' HD23 ' S' ' 48' ' ' LEU . 34.6 m80 -45.02 -34.67 2.58 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.077 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 48' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.1 OUTLIER -124.27 45.98 2.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.394 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -37.14 64.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.726 177.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -59.87 -34.25 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.09 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 51' ' ' TRP . . . . . 0.422 ' CZ2' ' HB3' ' S' ' 15' ' ' LYS . 74.8 t-105 -64.38 -45.21 88.69 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.632 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -45.03 94.68 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.965 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -50.23 74.4 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.416 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -61.09 -44.18 97.75 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.863 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' CZ2' ' S' ' 51' ' ' TRP . 0.0 OUTLIER -69.1 -30.67 69.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.38 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.21 -46.96 75.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.691 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.81 -44.82 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.512 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.71 81.13 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.95 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 60.6 m-70 -75.55 -29.74 59.48 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.274 -177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 60' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' S' ' 60' ' ' ARG . 0.2 OUTLIER -61.78 -50.29 72.94 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.934 173.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.59 -51.47 55.25 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.598 -1.637 . . . . 0.0 110.575 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.67 69.97 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.092 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -68.45 -49.33 60.63 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.398 -177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -36.21 60.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 CA--C 1.539 0.552 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.82 -171.816 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 48.8 mmm . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.396 0.617 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' S' S ' 14' ' ' ASP . . . . . 0.505 ' O ' HG23 ' S' ' 18' ' ' VAL . 9.0 t70 -54.05 -42.9 69.75 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.606 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -52.25 -42.24 63.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.456 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 16' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' S' ' 19' ' ' ASP . 16.8 t -66.05 -45.15 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.17 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -50.03 -48.78 52.55 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 122.21 1.005 . . . . 0.0 111.559 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 18' ' ' VAL . . . . . 0.505 HG23 ' O ' ' S' ' 14' ' ' ASP . 3.8 t -63.37 -30.4 49.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.133 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 19' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' S' ' 16' ' ' VAL . 45.1 t0 -55.23 -51.68 65.82 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.175 173.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.14 -50.73 72.5 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.259 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.9 67.98 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.099 -1.409 . . . . 0.0 111.774 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' S' ' 59' ' ' HIS . . . -63.04 -32.48 73.85 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.397 -1.728 . . . . 0.0 111.285 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.05 65.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.636 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -25.19 54.86 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.92 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 25' ' ' VAL . . . . . 0.788 HG22 HG21 ' S' ' 40' ' ' VAL . 3.3 t -73.05 -30.38 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.083 0.944 . . . . 0.0 110.54 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.09 -19.68 64.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.141 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -62.77 -6.96 4.13 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.768 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' S' ' 29' ' ' GLU . 22.3 ttpp -50.87 -34.32 27.63 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.075 0.464 . . . . 0.0 112.19 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 29' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -68.26 -32.19 72.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 116.958 -1.897 . . . . 0.0 111.148 177.237 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -88.42 18.28 4.63 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.897 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 31' ' ' TYR . . . . . 0.486 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.0 t80 -67.06 10.64 0.14 Allowed 'General case' 0 CA--C 1.558 1.254 0 CA-C-O 122.19 0.995 . . . . 0.0 113.383 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.02 -19.48 65.22 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.116 163.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 5.3 mmm -113.02 172.56 3.44 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 113.859 -1.519 . . . . 0.0 107.727 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -55.34 127.96 28.46 Favored 'Trans proline' 0 C--N 1.364 1.36 0 C-N-CA 121.691 1.594 . . . . 0.0 115.086 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 35' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.5 OUTLIER -137.98 148.32 25.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.145 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 36' ' ' ILE . . . . . 0.492 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.1 mt -133.23 85.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-O 122.786 1.279 . . . . 0.0 109.508 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.57 -19.43 62.16 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 112.447 -2.161 . . . . 0.0 113.229 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.69 -47.75 21.05 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.47 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 39' ' ' ALA . . . . . 0.492 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.245 -164.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 40' ' ' VAL . . . . . 0.788 HG21 HG22 ' S' ' 25' ' ' VAL . 20.5 m -51.1 -39.59 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-N 112.966 -1.925 . . . . 0.0 113.082 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -77.55 -15.96 58.94 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.34 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -28.02 14.55 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 174.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -74.87 -28.16 60.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.057 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 137.58 89.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.139 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.04 117.57 5.18 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 120.99 1.127 . . . . 0.0 110.941 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -58.51 -25.42 62.38 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.784 -173.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 47' ' ' HIS . . . . . 0.564 ' HB2' HD23 ' S' ' 48' ' ' LEU . 9.7 m80 -50.94 -20.25 1.28 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 112.704 -2.043 . . . . 0.0 113.522 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 48' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.3 OUTLIER -146.72 58.23 1.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.361 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -40.23 60.43 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.146 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -54.66 -44.12 73.0 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.988 -1.914 . . . . 0.0 111.147 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 51' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' S' ' 48' ' ' LEU . 73.8 t-105 -58.81 -44.07 90.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.063 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.85 -47.01 81.36 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.503 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 53' ' ' ARG . . . . . 0.414 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -64.24 -50.96 65.94 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 112.948 -1.933 . . . . 0.0 111.415 -175.742 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.45 -49.03 77.56 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.461 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.542 HH21 ' CD2' ' S' ' 59' ' ' HIS . 6.6 mmm180 -58.88 -35.5 73.09 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -45.18 64.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.066 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 57' ' ' ILE . . . . . 0.414 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.3 mp -60.82 -45.27 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.748 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.2 75.58 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.298 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 59' ' ' HIS . . . . . 0.542 ' CD2' HH21 ' S' ' 55' ' ' ARG . 28.7 m170 -74.73 -30.41 61.49 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.936 -1.938 . . . . 0.0 111.238 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 60' ' ' ARG . . . . . 0.41 ' O ' HG22 ' S' ' 64' ' ' VAL . 22.4 mmm-85 -60.38 -49.3 78.15 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.885 1.365 . . . . 0.0 109.015 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -51.24 66.76 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.552 176.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.31 74.28 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.402 -1.272 . . . . 0.0 112.004 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -57.69 -59.26 5.47 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.811 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 64' ' ' VAL . . . . . 0.41 HG22 ' O ' ' S' ' 60' ' ' ARG . 0.0 OUTLIER -64.99 -29.01 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.283 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 CA--C 1.547 0.838 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.361 -178.643 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -109.17 -53.2 2.68 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.222 0.951 . . . . 0.0 110.865 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -40.89 36.0 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.461 -1.699 . . . . 0.0 113.761 -165.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . 0.259 5.6 p30 60.55 -0.62 0.26 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.569 HD23 HD21 ' S' ' 8' ' ' LEU . 89.0 mt -55.38 -33.16 63.21 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 121.945 0.878 . . . . 0.0 112.341 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.51 63.76 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.149 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -78.84 -57.2 3.87 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.962 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.569 HD21 HD23 ' S' ' 5' ' ' LEU . 4.6 pp -65.1 -30.01 70.93 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.98 -1.918 . . . . 0.0 111.537 -175.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 5.93 116.69 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 126.593 2.433 . . . . 0.0 113.928 178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -48.18 -34.24 9.71 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.479 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.29 -43.21 78.21 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-N 114.365 -1.289 . . . . 0.0 112.348 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.33 -53.24 59.63 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.721 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt -71.98 -27.48 62.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 117.579 -1.649 . . . . 0.0 111.78 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 14' ' ' ASP . . . . . 0.5 ' O ' HG23 ' S' ' 18' ' ' VAL . 13.7 t70 -54.92 -48.16 73.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.106 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.919 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -30.78 44.47 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 125.143 1.527 . . . . 0.0 111.726 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.44 -37.14 71.45 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.685 1.231 . . . . 0.0 110.643 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 18' ' ' VAL . . . . . 0.5 HG23 ' O ' ' S' ' 14' ' ' ASP . 67.2 t -58.24 -38.3 67.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 CA-C-N 113.468 -1.696 . . . . 0.0 112.022 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' HD2' ' S' ' 55' ' ' ARG . 0.0 OUTLIER -64.28 -39.83 94.74 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.687 -177.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.76 -44.64 90.66 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.297 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.79 87.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.541 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' S' ' 56' ' ' LEU . . . -56.53 -42.1 77.88 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.711 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -60.98 -40.71 94.51 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.102 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.1 -38.7 56.51 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 113.141 -1.845 . . . . 0.0 112.326 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.784 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -67.34 -26.71 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 118.629 -1.229 . . . . 0.0 111.733 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -69.6 -16.34 63.38 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.607 -1.178 . . . . 0.0 111.401 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.97 -4.9 10.76 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.409 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.25 -25.31 47.34 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 171.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.84 -35.97 82.37 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 116.105 -2.238 . . . . 0.0 110.434 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.58 32.67 0.71 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 112.713 -2.04 . . . . 0.0 109.99 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -66.2 -3.24 5.31 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.425 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -58.71 -20.09 45.79 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 117.93 -1.508 . . . . 0.0 111.18 165.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.99 169.04 7.15 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.45 126.53 9.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.109 1.206 . . . . 0.0 113.451 -168.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.68 124.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.474 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.1 mt -110.97 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.097 0.873 . . . . 0.0 109.697 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -32.25 64.18 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.624 -1.626 . . . . 0.0 112.689 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -44.57 93.91 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.936 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.474 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -66.6 -57.33 7.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.113 -168.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.784 HG21 HG22 ' S' ' 25' ' ' VAL . 6.3 m -49.29 -47.59 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 113.261 -1.791 . . . . 0.0 112.227 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.91 -44.37 86.77 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.059 -1.056 . . . . 0.0 111.41 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -78.28 -21.5 49.66 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.275 -1.33 . . . . 0.0 111.879 -174.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.44 -34.79 72.86 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.309 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 44' ' ' GLN . . . . . 0.402 HE22 ' C ' ' S' ' 48' ' ' LEU . 5.0 tm0? -71.48 128.48 89.9 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.823 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.13 118.67 5.56 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 113.911 0.696 . . . . 0.0 113.911 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -44.57 -31.68 1.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.024 -1.444 . . . . 0.0 114.115 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -47.46 -48.21 26.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.14 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 48' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 18' ' ' VAL . 0.3 OUTLIER -104.3 29.1 6.28 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.353 -1.749 . . . . 0.0 110.355 -178.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -49.18 -38.24 25.14 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.183 0.992 . . . . 0.0 113.27 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -52.44 -43.63 65.01 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.457 -1.702 . . . . 0.0 112.047 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -54.7 -42.66 71.72 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.066 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.2 -43.74 98.16 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 118.769 -1.172 . . . . 0.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.446 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -61.0 -53.06 61.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.326 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.3 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.688 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.419 ' HD2' ' OD1' ' S' ' 19' ' ' ASP . 0.1 OUTLIER -61.3 -31.21 71.04 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.812 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' S' ' 22' ' ' ALA . 0.3 OUTLIER -57.25 -45.39 84.02 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.539 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.1 mp -58.1 -43.11 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 118.935 -1.106 . . . . 0.0 110.722 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.89 92.25 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.318 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 78.5 m-70 -71.79 -26.14 62.3 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 113.845 -1.525 . . . . 0.0 112.237 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.27 -47.27 83.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.464 1.102 . . . . 0.0 108.746 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.2 OUTLIER -54.55 -47.67 72.93 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 125.053 1.471 . . . . 0.0 110.409 176.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.69 66.35 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.576 -1.647 . . . . 0.0 112.598 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.674 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 53.7 p -77.96 -45.98 22.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 118.232 -1.387 . . . . 0.0 110.445 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.17 -29.49 36.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.869 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -31.28 71.16 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.21 -55.04 0.66 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.716 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -32.85 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.353 0.746 0 C-N-CA 126.313 1.845 . . . . 0.0 112.503 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 64.73 -9.06 0.19 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' S' ' 69' ' ' LEU . 11.3 mt 53.09 94.33 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 125.23 1.412 . . . . 0.0 111.455 -164.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -79.12 -136.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.369 1.626 0 N-CA-C 109.295 -1.079 . . . . 0.0 109.295 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.1 -84.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 59.58 161.19 0.1 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.965 -168.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.33 -113.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.255 0 N-CA-C 108.358 -1.439 . . . . 0.0 108.358 171.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.01 93.74 0.07 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.451 1.119 . . . . 0.0 110.89 177.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tt -149.0 147.73 28.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.347 0.462 0 O-C-N 126.041 2.088 . . . . 0.0 109.888 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.223 -0.341 0 N-CA-C 103.444 -2.798 . . . . 0.0 103.444 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.24 -73.19 0.15 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 125.673 1.858 . . . . 0.0 109.601 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -179.34 7.41 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 112.095 -2.32 . . . . 0.0 107.908 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -168.69 -179.85 3.96 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tp 69.31 25.57 5.56 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.914 162.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . 53.31 32.5 13.74 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.597 -1.638 . . . . 0.0 112.23 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 tptt 59.03 28.19 17.37 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 121.887 0.851 . . . . 0.0 111.912 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.5 19.94 10.88 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.901 -1.5 . . . . 0.0 111.543 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.21 100.39 0.33 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 176.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -46.69 -46.26 19.97 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -52.3 -46.94 66.13 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 112.657 -2.065 . . . . 0.0 112.521 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.05 -28.97 64.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.186 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 80.5 mtp -58.13 -37.26 74.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 118.794 -1.163 . . . . 0.0 111.126 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 14' ' ' ASP . . . . . 0.668 ' O ' HG23 ' S' ' 18' ' ' VAL . 28.0 t70 -49.18 -41.25 36.07 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.712 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.52 -44.62 93.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.301 -1.772 . . . . 0.0 110.701 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -37.75 81.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 118.374 -1.331 . . . . 0.0 110.362 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -58.87 -41.51 87.22 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.576 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 18' ' ' VAL . . . . . 0.762 HG21 HD22 ' S' ' 48' ' ' LEU . 39.7 t -62.3 -31.95 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.135 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.49 -45.33 94.68 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.109 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.45 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -56.11 -52.49 64.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 113.272 -1.785 . . . . 0.0 110.246 175.256 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.45 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -59.02 -53.81 54.24 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.738 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.98 80.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.39 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.01 79.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.928 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.37 -28.71 55.72 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 113.912 -1.494 . . . . 0.0 112.695 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.516 HG21 HG11 ' S' ' 40' ' ' VAL . 7.6 t -67.58 -33.22 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 119.215 -0.994 . . . . 0.0 110.677 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.17 66.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.239 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 27' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' S' ' 35' ' ' VAL . 15.1 t80 -61.95 -6.84 3.12 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.868 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -50.2 -24.86 3.1 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 170.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -36.67 68.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 117.304 -1.759 . . . . 0.0 110.58 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -87.64 26.6 1.26 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.079 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 31' ' ' TYR . . . . . 0.456 ' HA ' HG12 ' S' ' 35' ' ' VAL . 39.0 t80 -64.41 -2.04 2.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.827 0.822 . . . . 0.0 113.148 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -53.84 -25.74 21.09 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.161 166.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.5 mmm -111.21 166.08 11.49 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.152 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.94 112.1 3.32 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 120.302 0.668 . . . . 0.0 112.654 -167.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 35' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' S' ' 27' ' ' PHE . 14.9 p -139.86 119.16 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 113.901 -1.499 . . . . 0.0 108.446 171.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.49 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.4 mt -101.73 100.79 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.53 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 37' ' ' ALA . . . . . 0.473 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -62.27 -48.51 79.57 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.011 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.64 -37.91 52.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.917 -175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.49 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -58.19 -30.38 66.4 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.393 -1.731 . . . . 0.0 111.429 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.516 HG11 HG21 ' S' ' 25' ' ' VAL . 0.9 OUTLIER -58.47 -43.83 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 122.3 1.048 . . . . 0.0 111.374 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -68.79 -33.66 74.24 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.385 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -71.29 -34.29 70.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.953 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -74.57 -29.57 61.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.627 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 44' ' ' GLN . . . . . 0.652 ' NE2' HG22 ' S' ' 18' ' ' VAL . 2.2 mm100 -117.39 92.56 40.67 Favored Pre-proline 0 CA--C 1.554 1.107 0 O-C-N 124.104 0.878 . . . . 0.0 110.333 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -53.57 152.04 22.61 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.306 2.004 . . . . 0.0 116.207 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -48.51 -23.75 1.07 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.537 -1.665 . . . . 0.0 114.475 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -23.08 13.85 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 48' ' ' LEU . . . . . 0.762 HD22 HG21 ' S' ' 18' ' ' VAL . 3.2 pp -116.05 25.17 10.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.884 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 49' ' ' ARG . . . . . 0.613 ' HD3' HH12 ' S' ' 53' ' ' ARG . 0.0 OUTLIER -55.37 -31.0 61.41 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.4 p -66.16 -48.77 69.68 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.615 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -57.22 -51.44 69.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.554 -1.657 . . . . 0.0 110.373 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -57.45 -41.32 80.27 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.294 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.613 HH12 ' HD3' ' S' ' 49' ' ' ARG . 0.0 OUTLIER -56.28 -59.07 5.47 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.976 178.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.89 -41.92 78.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.763 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -38.52 90.02 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.026 -1.897 . . . . 0.0 111.764 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.422 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.2 OUTLIER -49.69 -42.16 45.02 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.954 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.7 -35.06 63.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.118 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.67 71.47 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 123.161 1.457 . . . . 0.0 110.456 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -74.57 -36.86 63.05 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.124 -170.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -59.72 -43.54 94.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.133 -1.427 . . . . 0.0 110.335 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.92 -49.99 71.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.263 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.65 76.63 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.853 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -60.61 -48.75 80.39 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.633 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.26 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.858 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -27.56 65.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 118.032 -1.467 . . . . 0.0 111.47 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt 76.26 -51.31 0.6 Allowed 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.759 1.623 . . . . 0.0 110.876 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -164.08 -49.41 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.922 167.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? 51.44 79.29 0.1 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.962 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.427 ' N ' HD23 ' S' ' 69' ' ' LEU . 0.2 OUTLIER -74.91 -54.86 2.56 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 112.437 -2.165 . . . . 0.0 111.346 177.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.09 170.18 12.41 Favored 'Trans proline' 0 C--N 1.369 1.631 0 N-CA-C 109.258 -1.093 . . . . 0.0 109.258 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -153.62 -38.05 0.1 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.48 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 70.57 111.87 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 125.358 1.661 . . . . 0.0 108.975 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -55.35 -14.33 9.13 Favored 'Trans proline' 0 C--N 1.368 1.555 0 N-CA-C 118.441 2.439 . . . . 0.0 118.441 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 92.89 2.86 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 tp -156.82 119.76 4.08 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt . . . . . 0 CA--C 1.537 0.479 0 O-C-N 125.637 1.836 . . . . 0.0 107.41 176.868 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 80.1 mmm . . . . . 0 C--O 1.22 -0.494 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 49.7 mt 74.23 -59.96 0.54 Allowed 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.927 1.392 . . . . 0.0 112.398 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.32 164.88 28.65 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 174.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -137.92 28.25 2.63 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.346 1.029 . . . . 0.0 111.037 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -42.72 63.49 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 123.238 1.494 . . . . 0.0 110.688 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.43 -0.2 0.83 Allowed 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 111.97 -2.377 . . . . 0.0 114.168 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -80.63 -31.01 36.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.841 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -141.55 100.12 3.7 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 119.309 -0.956 . . . . 0.0 110.845 -170.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.9 136.9 0.12 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.132 169.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.95 -35.68 59.02 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.128 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -35.94 33.84 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.581 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -61.05 -49.73 76.18 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.76 -1.564 . . . . 0.0 109.281 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 13.1 mmt -61.82 -38.73 89.25 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 112.104 -2.316 . . . . 0.0 110.338 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -55.79 -44.51 77.83 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.023 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -60.87 -39.38 88.98 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.288 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.47 -32.78 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.323 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.2 -46.21 89.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.084 0.945 . . . . 0.0 109.155 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.44 -39.04 73.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.372 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.71 -27.27 64.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.414 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 -58.37 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 126.554 2.409 . . . . 0.0 110.658 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.5 -43.25 75.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.839 1.304 . . . . 0.0 111.846 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -14.03 46.01 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.755 -2.021 . . . . 0.0 112.573 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.06 23.81 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 121.766 0.793 . . . . 0.0 110.123 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.82 57.27 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.966 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.98 HG22 HG21 ' S' ' 40' ' ' VAL . 2.9 t -56.71 -41.27 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.405 -1.397 . . . . 0.0 111.734 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.87 59.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 113.934 -1.485 . . . . 0.0 110.408 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -62.42 0.93 0.4 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 113.822 -1.535 . . . . 0.0 112.834 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -45.28 -32.7 2.08 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.73 -9.96 41.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 116.832 -1.947 . . . . 0.0 112.025 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 28.7 8.54 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.595 1.558 . . . . 0.0 109.138 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -70.63 5.04 2.04 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.271 1.034 . . . . 0.0 113.021 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -61.93 -16.8 53.75 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.801 160.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.92 148.73 39.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -63.11 116.97 3.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 120.788 0.992 . . . . 0.0 113.139 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.82 97.97 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 122.915 1.34 . . . . 0.0 108.901 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.51 91.71 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.653 -1.612 . . . . 0.0 109.676 -173.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.21 17.72 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 113.528 -1.669 . . . . 0.0 114.045 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -46.34 56.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.084 0.945 . . . . 0.0 110.517 173.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.01 90.45 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.01 -161.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.98 HG21 HG22 ' S' ' 25' ' ' VAL . 13.2 m -47.06 -39.54 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.547 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.88 -11.56 58.1 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.383 -173.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -86.14 -45.35 11.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.207 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.88 -46.65 80.9 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.125 -1.852 . . . . 0.0 111.861 -175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -68.27 135.36 91.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.217 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.75 124.78 16.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 1.1 . . . . 0.0 114.403 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.73 -29.37 62.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.64 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -70.51 11.05 0.39 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.55 34.01 0.7 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.309 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.81 -46.72 10.79 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.239 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -49.6 -42.38 44.47 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.195 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -65.22 -41.4 94.45 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.105 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.87 -43.79 97.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.514 -1.675 . . . . 0.0 110.432 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -62.75 -45.53 92.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.635 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -53.73 -50.55 65.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.244 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -66.53 -31.08 71.58 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 112.216 -2.265 . . . . 0.0 112.008 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -46.46 87.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.226 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.47 -52.46 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.902 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.06 63.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.065 -1.88 . . . . 0.0 111.832 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -74.98 -22.54 58.49 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 113.484 -1.689 . . . . 0.0 112.413 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -66.76 -48.01 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 117.055 -1.858 . . . . 0.0 109.129 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.77 -45.0 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.861 -1.972 . . . . 0.0 111.712 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.33 98.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.601 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.52 -171.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 24.1 m -64.87 -49.05 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 118.04 -1.464 . . . . 0.0 110.502 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -71.84 -27.27 62.78 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 117.615 -1.634 . . . . 0.0 112.183 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.5 -20.95 22.76 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.702 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 97.0 p -55.6 -22.25 21.36 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.34 1.025 . . . . 0.0 113.463 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 51.57 77.96 0.13 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 122.795 1.283 . . . . 0.0 112.465 169.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 89.4 mt -49.87 131.95 21.66 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-N 112.851 -1.977 . . . . 0.0 112.753 -170.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.95 131.48 15.67 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.956 1.771 . . . . 0.0 112.199 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -32.12 -66.15 0.13 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 125.283 1.614 . . . . 0.0 113.893 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 41.46 79.51 0.32 Allowed Pre-proline 0 CA--C 1.558 1.279 0 CA-C-N 114.686 -1.143 . . . . 0.0 113.889 169.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.62 135.62 42.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 121.438 1.425 . . . . 0.0 112.569 -171.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.5 174.74 5.81 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 19.1 tp 142.18 -107.96 0.0 OUTLIER 'General case' 0 C--N 1.352 0.692 0 C-N-CA 128.535 2.734 . . . . 0.0 106.649 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 174.123 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 50.68 -116.99 1.01 Allowed 'General case' 0 CA--C 1.55 0.956 0 O-C-N 126.008 2.067 . . . . 0.0 110.528 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -129.86 117.21 19.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 167.24 148.65 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.0 mt 75.07 -56.3 0.63 Allowed 'General case' 0 CA--C 1.549 0.921 0 O-C-N 125.154 1.534 . . . . 0.0 111.699 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.22 -47.57 46.18 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 122.1 0.952 . . . . 0.0 112.735 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -17.93 63.89 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 113.657 -1.61 . . . . 0.0 112.942 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.0 91.9 0.74 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.468 -167.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -139.2 -92.83 0.18 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.211 -1.813 . . . . 0.0 107.732 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -45.24 -49.22 12.57 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 122.812 1.292 . . . . 0.0 111.751 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -63.45 -35.58 80.89 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.68 -33.26 64.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.921 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.5 mmm -56.2 -56.19 24.01 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 114.255 -1.339 . . . . 0.0 109.499 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -51.28 -44.23 61.79 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.651 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -54.95 -49.61 70.93 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.574 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 m -67.89 -36.52 75.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 C-N-CA 119.106 -1.038 . . . . 0.0 111.645 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.27 -48.66 78.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.355 1.074 . . . . 0.0 111.047 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.82 -32.97 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.298 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.37 -45.15 92.22 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.362 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.472 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.41 -52.71 58.48 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.018 172.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.472 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.62 -54.34 48.16 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.097 -1.865 . . . . 0.0 112.001 -172.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -43.92 88.24 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.411 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.62 76.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.379 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -35.86 63.1 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.901 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.543 HG22 HG12 ' S' ' 40' ' ' VAL . 12.2 t -70.63 -25.62 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 118.651 -1.219 . . . . 0.0 111.616 177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -67.66 -19.74 65.23 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.197 0.999 . . . . 0.0 111.34 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.63 -4.67 4.4 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.613 -1.63 . . . . 0.0 112.007 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.84 -24.54 62.2 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -68.9 -33.91 74.55 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 117.193 -1.803 . . . . 0.0 110.51 172.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -86.81 19.41 2.98 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.495 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 31' ' ' TYR . . . . . 0.485 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.4 t80 -68.19 6.35 0.77 Allowed 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.401 1.096 . . . . 0.0 112.87 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.06 -27.66 61.89 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 118.062 -1.455 . . . . 0.0 110.607 160.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtm -112.7 177.09 1.26 Allowed Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.218 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.8 125.78 20.24 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 121.216 1.277 . . . . 0.0 115.058 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 35' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.3 OUTLIER -136.87 136.42 47.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 166.089 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.45 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.8 mt -95.62 90.78 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 118.752 -1.179 . . . . 0.0 109.216 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.62 -19.94 64.28 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 113.659 -1.609 . . . . 0.0 113.056 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -35.0 65.44 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.834 0.825 . . . . 0.0 110.696 173.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.45 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -61.36 -35.37 77.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.039 -170.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.543 HG12 HG22 ' S' ' 25' ' ' VAL . 1.1 m -40.84 -50.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 O-C-N 124.967 1.417 . . . . 0.0 112.114 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.38 -37.37 66.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.656 -1.611 . . . . 0.0 110.744 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -78.72 -21.3 48.28 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.684 -1.143 . . . . 0.0 112.025 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 43' ' ' GLU . . . . . 0.435 ' HB3' ' HB1' ' S' ' 21' ' ' ALA . 52.2 mt-10 -78.82 -25.17 44.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.551 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 44' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' S' ' 52' ' ' PHE . 6.7 pt20 -101.59 91.04 2.02 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.241 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.85 146.87 84.4 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 N-CA-C 108.002 -1.576 . . . . 0.0 108.002 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -49.44 -27.35 4.1 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.912 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -13.23 22.38 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.77 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 48' ' ' LEU . . . . . 0.48 HD12 ' O ' ' S' ' 48' ' ' LEU . 4.6 pp -151.15 23.94 0.73 Allowed 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.734 0.647 . . . . 0.0 112.158 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -52.6 -36.48 56.31 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.231 1.015 . . . . 0.0 112.852 -168.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -58.68 -47.44 84.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.089 -1.868 . . . . 0.0 111.798 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -57.92 -52.39 65.68 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.374 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 52' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' S' ' 44' ' ' GLN . 22.8 t80 -55.3 -52.35 63.74 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.906 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.423 ' O ' HD12 ' S' ' 57' ' ' ILE . 4.5 tmt_? -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.502 -171.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -45.26 81.6 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 122.774 1.273 . . . . 0.0 109.751 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.437 HH11 ' CG ' ' S' ' 55' ' ' ARG . 0.0 OUTLIER -61.03 -33.35 73.15 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 113.023 -1.899 . . . . 0.0 111.591 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.515 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.01 -43.96 66.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.115 0.885 . . . . 0.0 110.802 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.423 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.4 mp -62.57 -51.36 73.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.419 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.76 65.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.652 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -79.16 -27.68 42.73 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.488 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.78 -45.41 89.85 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.349 -1.34 . . . . 0.0 109.541 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.24 -33.67 76.27 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.491 -1.686 . . . . 0.0 110.625 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.07 87.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.255 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.575 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 99.1 p -77.2 -19.06 57.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.768 -169.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.86 -46.43 17.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 125.998 2.061 . . . . 0.0 109.883 166.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -7.19 51.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 118.684 -1.206 . . . . 0.0 112.66 -173.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.455 HD23 ' H ' ' S' ' 67' ' ' SER . 2.2 pt? -36.83 -45.85 0.58 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -168.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 67' ' ' SER . . . . . 0.455 ' H ' HD23 ' S' ' 66' ' ' LEU . 32.8 t -83.7 48.02 1.37 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.298 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -46.58 31.82 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 124.487 1.117 . . . . 0.0 110.195 -166.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.34 110.41 2.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 112.112 -2.313 . . . . 0.0 108.153 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -67.95 -150.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.504 0 O-C-N 123.376 1.198 . . . . 0.0 112.674 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -139.36 -97.9 0.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.081 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 72' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' S' ' 74' ' ' LYS . 79.8 mt-10 63.8 115.03 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 O-C-N 124.977 1.423 . . . . 0.0 110.034 -170.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 73' ' ' PRO . . . . . 0.413 ' HB2' HD22 ' S' ' 75' ' ' LEU . 74.4 Cg_exo -51.97 -26.64 25.66 Favored 'Trans proline' 0 C--N 1.364 1.344 0 N-CA-C 118.894 2.613 . . . . 0.0 118.894 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 74' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' S' ' 72' ' ' GLU . 17.1 mmtm 48.28 66.85 0.95 Allowed 'General case' 0 CA--C 1.551 0.989 0 O-C-N 124.404 1.065 . . . . 0.0 113.272 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' S' ' 73' ' ' PRO . 0.6 OUTLIER -162.5 175.69 11.22 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -176.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 1.019 0 O-C-N 126.885 2.615 . . . . 0.0 112.236 169.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtm . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.13 25.34 10.78 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 126.122 2.139 . . . . 0.0 111.889 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.76 131.07 0.07 Allowed 'General case' 0 C--N 1.345 0.372 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -176.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -179.55 153.35 0.56 Allowed 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 102.952 -2.981 . . . . 0.0 102.952 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp 76.89 -59.82 0.48 Allowed 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.492 1.12 . . . . 0.0 112.065 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.67 -56.48 9.96 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.778 0.799 . . . . 0.0 112.435 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -24.44 23.92 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.58 -1.646 . . . . 0.0 112.141 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 49.3 mt -77.88 -19.53 54.61 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.903 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.84 106.3 12.38 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.817 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -48.74 -36.47 16.48 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.146 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -58.18 -37.6 75.06 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.472 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.74 -40.48 79.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.988 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 82.8 mmm -58.35 -25.72 62.31 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.196 -1.365 . . . . 0.0 112.585 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.59 -38.15 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.742 0.782 . . . . 0.0 112.197 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -58.16 -36.16 72.61 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.32 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -42.67 45.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.038 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -43.53 61.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.951 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.09 -44.41 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 112.954 -1.93 . . . . 0.0 111.818 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -42.38 97.93 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.935 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.442 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -49.47 -48.19 47.92 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.443 175.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.442 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.47 -42.17 86.86 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.73 77.01 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.747 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -57.84 -38.35 75.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.032 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.98 -36.02 71.68 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.564 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.698 ' CG2' HG21 ' S' ' 40' ' ' VAL . 2.2 t -70.78 -35.17 59.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 114.272 -0.964 . . . . 0.0 110.38 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.15 83.72 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 116.869 -1.932 . . . . 0.0 109.746 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.31 17.15 0.2 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 112.258 -2.246 . . . . 0.0 112.765 175.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG11 ' S' ' 35' ' ' VAL . 0.0 OUTLIER -61.06 -10.18 5.69 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 171.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.09 -15.1 8.22 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.096 168.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -61.95 14.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.934 163.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.42 -14.74 62.6 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.405 1.457 . . . . 0.0 112.455 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -13.82 60.94 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 122.356 1.074 . . . . 0.0 111.073 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtm -126.93 -161.8 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -99.05 129.3 0.19 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 120.966 1.111 . . . . 0.0 112.041 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 35' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' S' ' 28' ' ' LYS . 4.2 p -152.06 109.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.564 171.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.413 HG22 ' H ' ' S' ' 39' ' ' ALA . 5.7 mt -85.65 89.98 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.651 -176.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 37' ' ' ALA . . . . . 0.514 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -51.45 -62.16 1.79 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.92 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 38' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' S' ' 38' ' ' GLU . 1.9 pm0 -46.12 -43.13 14.61 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.597 -1.183 . . . . 0.0 113.718 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.413 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -56.46 -29.88 62.24 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.935 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.698 HG21 ' CG2' ' S' ' 25' ' ' VAL . 2.2 p -54.36 -42.36 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 122.649 1.214 . . . . 0.0 112.006 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.79 -46.23 79.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.392 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -65.8 -27.11 68.02 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.246 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.25 -35.57 81.45 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.634 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -89.34 116.94 67.64 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.142 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -40.01 121.5 0.97 Allowed 'Trans proline' 0 CA--C 1.549 1.271 0 N-CA-C 115.633 1.359 . . . . 0.0 115.633 166.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.25 -24.17 10.64 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.468 -1.696 . . . . 0.0 113.544 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -27.03 11.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.569 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.81 38.92 3.01 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.208 177.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -57.04 -30.95 64.68 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.436 1.113 . . . . 0.0 112.174 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.0 m -55.19 -31.16 61.18 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.497 -1.683 . . . . 0.0 114.261 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -64.93 -47.3 78.18 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.141 1.525 . . . . 0.0 108.459 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 52' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' S' ' 40' ' ' VAL . 3.9 t80 -59.52 -50.06 75.39 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.97 -1.923 . . . . 0.0 110.871 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.456 ' O ' HD12 ' S' ' 57' ' ' ILE . 2.7 tmm_? -51.6 -50.57 59.93 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 112.538 -2.119 . . . . 0.0 110.283 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -45.22 89.83 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 118.043 -1.463 . . . . 0.0 110.094 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.55 68.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 112.843 -1.981 . . . . 0.0 111.306 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.506 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.1 OUTLIER -55.71 -47.18 77.28 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 124.118 0.886 . . . . 0.0 110.687 177.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.456 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.2 mp -62.28 -41.27 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.406 1.066 . . . . 0.0 109.823 -177.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.32 95.96 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.522 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.514 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 23.5 m-70 -68.46 -42.06 79.32 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.526 -175.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -31.21 72.32 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 117.287 -1.765 . . . . 0.0 110.245 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -44.07 82.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 122.489 1.138 . . . . 0.0 110.118 176.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.3 -37.27 72.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.197 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -59.23 -61.43 2.64 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.274 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -32.44 51.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.763 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -68.59 -18.77 64.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.635 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 17.7 mt 77.73 -54.9 0.52 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.013 1.325 . . . . 0.0 110.841 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 29.2 t -34.92 -40.59 0.12 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.148 2.179 . . . . 0.0 113.291 171.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 56.49 78.77 0.2 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.119 0.961 . . . . 0.0 112.925 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.76 -35.3 2.34 Favored Pre-proline 0 CA--C 1.567 1.596 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.27 -129.13 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.086 0 N-CA-C 117.622 2.124 . . . . 0.0 117.622 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -54.74 -58.19 8.52 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 30.66 104.39 0.01 OUTLIER Pre-proline 0 CA--C 1.556 1.193 0 O-C-N 126.346 2.279 . . . . 0.0 114.822 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -50.3 121.92 8.51 Favored 'Trans proline' 0 C--N 1.363 1.316 0 N-CA-C 114.528 0.934 . . . . 0.0 114.528 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 95.41 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.217 -177.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.696 HD22 ' H ' ' S' ' 75' ' ' LEU . 0.0 OUTLIER -88.83 44.35 1.2 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.484 177.231 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 CA-C-N 113.558 -1.655 . . . . 0.0 108.138 -173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 C--O 1.226 -0.163 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.39 161.33 32.68 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 125.608 1.817 . . . . 0.0 106.292 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -132.97 -175.86 3.92 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 152.52 122.69 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 127.33 2.252 . . . . 0.0 105.961 164.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.32 -34.44 76.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.319 -1.353 . . . . 0.0 110.236 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.22 -21.03 4.65 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 112.159 -2.291 . . . . 0.0 113.688 176.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -43.14 -39.97 3.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 123.822 0.701 . . . . 0.0 111.965 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -90.66 103.75 16.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 113.909 -1.496 . . . . 0.0 108.922 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.56 140.55 0.47 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -56.3 -38.74 71.66 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.957 1.36 . . . . 0.0 111.342 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.54 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.039 -1.892 . . . . 0.0 111.443 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -79.75 -27.05 40.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.031 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.74 -22.76 66.79 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 119.255 -0.978 . . . . 0.0 112.024 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' HZ3' ' S' ' 15' ' ' LYS . 98.5 m-20 -54.9 -23.74 20.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 119.381 -0.928 . . . . 0.0 112.75 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 15' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' S' ' 14' ' ' ASP . 3.0 mmpm? -66.65 -34.67 78.4 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.814 178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.72 -40.88 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.385 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.56 -41.87 70.31 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.552 -1.203 . . . . 0.0 111.831 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 18' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' S' ' 52' ' ' PHE . 2.6 t -52.73 -43.66 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.303 174.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.01 -48.82 77.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.98 -41.77 99.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.655 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.98 79.24 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.263 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.41 78.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.64 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -61.56 -36.28 80.18 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.687 176.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.94 -39.74 69.86 Favored Glycine 0 CA--C 1.538 1.502 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.923 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.11 -33.25 62.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.04 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' S' ' 63' ' ' SER . . . -63.01 -19.42 64.33 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 121.67 0.748 . . . . 0.0 112.367 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 27' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' S' ' 35' ' ' VAL . 28.9 t80 -68.19 -3.43 10.59 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.677 172.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -13.8 5.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -74.97 -36.75 62.03 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.932 1.348 . . . . 0.0 110.483 170.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -89.21 17.88 5.59 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.638 -2.074 . . . . 0.0 110.76 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 31' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' S' ' 35' ' ' VAL . 0.1 OUTLIER -64.13 1.6 0.69 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 177.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.56 -22.05 66.05 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.809 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mmt -108.8 167.08 9.69 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 113.296 -1.774 . . . . 0.0 106.244 169.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.96 116.52 4.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 120.199 0.6 . . . . 0.0 112.107 -170.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 35' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' S' ' 27' ' ' PHE . 12.0 p -144.05 117.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.215 174.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.92 94.31 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.753 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.9 -9.68 40.63 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 113.795 -1.548 . . . . 0.0 112.966 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.63 -27.4 62.12 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.074 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.15 -40.85 61.98 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.048 0.843 . . . . 0.0 111.913 -165.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' S' ' 52' ' ' PHE . 0.1 OUTLIER -41.59 -57.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.472 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.555 172.734 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.1 -41.87 97.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.181 -171.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.97 -35.69 80.52 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.672 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.12 22.67 9.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.622 -1.627 . . . . 0.0 110.312 -174.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.23 103.06 53.1 Favored Pre-proline 0 C--N 1.346 0.422 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -57.69 124.58 16.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 N-CA-C 109.905 -0.844 . . . . 0.0 109.905 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.91 30.12 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.856 1.313 . . . . 0.0 112.157 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -59.36 -26.38 65.03 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.896 -2.411 . . . . 0.0 113.056 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 46.52 1.68 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.943 0.877 . . . . 0.0 110.957 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -58.1 -32.35 68.01 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 117.554 -1.659 . . . . 0.0 112.638 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.7 p -62.6 -35.94 81.16 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.411 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.62 -47.95 83.57 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.781 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 52' ' ' PHE . . . . . 0.626 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.5 OUTLIER -63.23 -52.95 60.11 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 126.042 2.089 . . . . 0.0 109.976 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -50.57 -56.71 10.48 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.705 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.62 -41.92 82.28 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.27 0.981 . . . . 0.0 110.659 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.38 74.93 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 118.454 -1.298 . . . . 0.0 111.199 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.463 ' C ' HD12 ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.13 -40.19 64.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.245 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.71 -44.34 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 118.973 -1.091 . . . . 0.0 109.759 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.05 84.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.243 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.429 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 89.7 m-70 -74.23 -25.82 59.88 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 113.206 -1.816 . . . . 0.0 112.768 -177.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -66.87 -46.58 74.54 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.741 172.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.7 -46.26 70.67 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.295 1.622 . . . . 0.0 109.656 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.91 91.71 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.369 -1.741 . . . . 0.0 112.256 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.456 ' HB2' ' HB1' ' S' ' 26' ' ' ALA . 0.7 OUTLIER -61.73 -51.71 67.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 118.789 -1.165 . . . . 0.0 111.404 -176.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.39 -31.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.156 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 65' ' ' ASN . . . . . 0.562 ' O ' HD12 ' S' ' 66' ' ' LEU . 0.0 OUTLIER -69.11 -20.76 64.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.543 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.562 HD12 ' O ' ' S' ' 65' ' ' ASN . 1.5 pp 46.83 38.43 6.0 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 124.211 0.945 . . . . 0.0 113.369 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -167.29 -106.24 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 113.769 -1.559 . . . . 0.0 108.903 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.24 -19.92 2.16 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.508 ' N ' ' CD ' ' S' ' 70' ' ' PRO 0.317 1.2 pp 123.86 -21.91 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 129.874 3.27 . . . . 0.0 114.562 -179.455 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 70' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' S' ' 69' ' ' LEU . 91.2 Cg_endo -79.07 -159.56 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.048 0 CA-C-N 120.943 1.372 . . . . 0.0 111.183 -170.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -62.9 125.34 23.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.867 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.49 102.73 0.32 Allowed Pre-proline 0 CA--C 1.558 1.273 0 O-C-N 125.492 1.745 . . . . 0.0 111.544 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.23 133.93 3.43 Favored 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 122.029 1.819 . . . . 0.0 110.295 -171.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.35 -176.86 2.29 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.65 163.2 14.19 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 125.363 1.664 . . . . 0.0 108.535 172.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm . . . . . 0 CA--C 1.541 0.618 0 O-C-N 126.221 2.201 . . . . 0.0 111.102 -178.577 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.484 ' SD ' ' N ' ' S' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 119.643 -0.218 . . . . 0.0 111.282 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 2' ' ' LEU . . . . . 0.418 ' O ' ' NZ ' ' S' ' 3' ' ' LYS . 2.1 mp -16.72 -110.09 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 128.043 2.537 . . . . 0.0 115.665 -171.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 3' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' S' ' 2' ' ' LEU . 1.9 mtmp? 97.17 136.35 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.358 2.263 . . . . 0.0 109.04 -173.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.34 -29.3 70.63 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.616 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.6 -22.72 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.592 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 6' ' ' ALA . . . . . 0.486 ' O ' ' NZ ' ' S' ' 15' ' ' LYS . . . -67.7 -15.15 63.49 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.491 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.34 -72.68 0.52 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.112 173.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.59 96.1 9.98 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.97 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -171.91 153.5 3.26 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 164.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -61.97 -45.33 94.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 122.0 0.905 . . . . 0.0 111.608 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -55.85 -31.66 62.95 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.014 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -84.35 -4.79 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.224 -1.807 . . . . 0.0 112.206 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 38.7 mmt -77.24 -13.61 59.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.736 0.647 . . . . 0.0 110.821 171.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -46.42 -38.91 9.67 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 15' ' ' LYS . . . . . 0.486 ' NZ ' ' O ' ' S' ' 6' ' ' ALA . 1.5 mppt? -57.67 -42.73 84.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.998 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.18 -39.84 79.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 117.495 -1.682 . . . . 0.0 109.682 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -57.1 -45.69 83.19 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.915 -1.493 . . . . 0.0 110.218 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.07 -34.93 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 112.856 -1.974 . . . . 0.0 111.698 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -63.61 -41.17 98.33 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 122.041 0.924 . . . . 0.0 110.323 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.99 -38.02 87.42 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.335 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.1 70.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.336 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -27.68 64.2 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.652 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.17 63.89 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.528 0.68 . . . . 0.0 110.33 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.78 67.9 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.583 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.554 HG22 ' CG1' ' S' ' 40' ' ' VAL . 10.7 t -63.53 -49.84 80.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.85 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -43.48 29.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.431 1.11 . . . . 0.0 112.133 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -59.08 -5.12 0.6 Allowed 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 111.582 -2.554 . . . . 0.0 113.945 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -16.24 5.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 164.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.53 -28.54 68.5 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.455 1.122 . . . . 0.0 111.105 173.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -102.66 36.39 2.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.806 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.16 -17.33 6.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.34 76.17 3.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 117.623 -1.631 . . . . 0.0 108.437 160.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mtm 152.28 151.27 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 131.472 3.909 . . . . 0.0 105.024 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.64 121.67 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 120.854 1.036 . . . . 0.0 112.482 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.8 113.4 22.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -83.93 74.63 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.122 -169.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.54 52.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 113.608 -1.633 . . . . 0.0 113.717 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.61 -35.0 79.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 119.162 -1.015 . . . . 0.0 112.399 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -22.89 66.56 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.816 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.554 ' CG1' HG22 ' S' ' 25' ' ' VAL . 2.8 m -59.67 -29.78 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.679 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -88.6 -12.71 41.86 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.892 -1.504 . . . . 0.0 112.249 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -99.9 -39.77 8.01 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.22 0.95 . . . . 0.0 110.674 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.25 -46.09 88.5 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.523 -1.672 . . . . 0.0 109.878 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -65.84 109.66 3.49 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 112.006 -2.361 . . . . 0.0 110.719 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -78.39 139.98 16.87 Favored 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-O 121.952 0.73 . . . . 0.0 111.325 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -35.95 0.63 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 113.683 -1.599 . . . . 0.0 114.897 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.24 18.23 0.16 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -150.54 30.01 0.68 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.616 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -52.1 -38.86 58.7 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.241 1.02 . . . . 0.0 112.11 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 -55.41 28.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.141 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.16 -51.15 71.26 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 111.553 -2.567 . . . . 0.0 111.158 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -64.64 -38.16 90.07 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 117.786 -1.565 . . . . 0.0 110.654 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.455 HH11 ' HB3' ' S' ' 53' ' ' ARG . 0.3 OUTLIER -59.24 -48.6 81.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.875 175.202 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.08 -49.55 68.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.651 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -70.08 -26.64 64.09 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 112.863 -1.972 . . . . 0.0 111.742 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.31 -45.62 87.15 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.565 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 70.5 mt -57.56 -52.79 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.409 1.1 . . . . 0.0 109.842 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.95 72.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.221 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.66 -15.78 47.57 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.72 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -68.89 -47.02 66.88 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 168.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.5 -39.65 84.53 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.952 -1.931 . . . . 0.0 110.755 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.17 79.79 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.213 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -49.79 -46.78 51.2 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.064 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.0 -39.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 111.586 -174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -91.76 2.95 56.16 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.791 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.06 -28.01 66.06 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 121.665 0.745 . . . . 0.0 111.845 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -108.68 33.57 4.13 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.378 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -76.03 31.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 pp 20.81 64.31 0.27 Allowed Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 125.579 1.551 . . . . 0.0 115.124 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.67 140.91 21.48 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.341 1.36 . . . . 0.0 110.029 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 82.8 t80 79.26 153.35 0.13 Allowed 'General case' 0 C--N 1.354 0.79 0 O-C-N 125.544 1.778 . . . . 0.0 109.042 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -106.74 108.94 62.75 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 113.264 -1.789 . . . . 0.0 106.928 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.48 -140.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 121.22 1.28 . . . . 0.0 113.771 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 78.09 145.46 0.09 Allowed 'General case' 0 C--N 1.352 0.678 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.299 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt 76.17 -66.37 0.27 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.919 -1.491 . . . . 0.0 113.106 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 O-C-N 124.35 1.031 . . . . 0.0 108.378 -165.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.222 -0.39 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.09 28.2 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -80.55 -85.9 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 74.17 -59.97 0.54 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.392 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -50.25 -31.83 15.1 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.644 1.212 . . . . 0.0 112.211 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.44 -7.17 0.36 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 112.354 -2.203 . . . . 0.0 115.671 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -25.28 59.82 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 174.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.78 114.88 6.58 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.402 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.36 142.18 0.02 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -45.84 67.86 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 124.22 0.95 . . . . 0.0 111.857 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -30.48 67.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 117.541 -1.664 . . . . 0.0 111.245 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.62 -34.62 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 117.302 -1.759 . . . . 0.0 111.746 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 8.4 mtt -80.17 -48.52 13.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.741 -1.572 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.93 -45.66 82.57 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 122.764 1.269 . . . . 0.0 111.096 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.473 -2.149 . . . . 0.0 111.351 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.98 86.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 118.142 -1.423 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.3 -43.47 98.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.274 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 18' ' ' VAL . . . . . 0.605 HG22 ' OE1' ' S' ' 44' ' ' GLN . 95.4 t -54.63 -39.25 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.589 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.28 -42.25 75.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 112.911 -1.95 . . . . 0.0 111.076 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.569 HD23 ' N ' ' S' ' 21' ' ' ALA . 0.2 OUTLIER -51.15 -47.73 62.0 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 125.514 1.759 . . . . 0.0 109.904 175.504 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.569 ' N ' HD23 ' S' ' 20' ' ' LEU . . . -62.23 -45.62 92.53 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.682 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.17 76.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.296 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.88 91.41 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.928 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.86 -31.79 55.03 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.922 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' S' ' 40' ' ' VAL . 2.4 t -71.82 -25.73 24.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.121 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.92 65.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 118.321 -1.351 . . . . 0.0 111.107 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.21 -3.92 1.52 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 112.897 -1.956 . . . . 0.0 112.062 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -52.03 -27.6 14.21 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.6 -33.51 76.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.753 -1.579 . . . . 0.0 111.141 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -80.4 45.16 0.74 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.635 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.56 3.94 10.35 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.481 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -65.75 -15.71 63.09 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.814 161.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtt -121.12 171.32 6.1 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 113.095 -1.866 . . . . 0.0 106.306 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.09 125.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 1.184 . . . . 0.0 111.785 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.5 139.3 32.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 174.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.05 99.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 122.305 1.05 . . . . 0.0 109.677 -176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.85 -17.05 64.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.571 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.79 -38.65 67.17 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.744 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 -42.42 86.97 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 122.303 1.049 . . . . 0.0 110.945 -164.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' S' ' 25' ' ' VAL . 0.0 OUTLIER -55.63 -54.13 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 113.367 -1.742 . . . . 0.0 111.455 171.144 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.57 -33.35 71.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.507 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -82.42 -29.34 30.8 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.313 1.008 . . . . 0.0 110.383 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -76.79 -46.5 24.79 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.526 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 44' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' S' ' 18' ' ' VAL . 68.0 mm-40 -77.67 123.78 86.56 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.437 -1.71 . . . . 0.0 108.972 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -68.03 136.78 39.05 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 N-CA-C 109.813 -0.88 . . . . 0.0 109.813 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -49.24 -26.52 3.01 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 113.72 -1.582 . . . . 0.0 112.75 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -26.07 26.21 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.629 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.37 26.17 7.44 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.061 0.851 . . . . 0.0 111.702 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -48.85 -41.52 33.38 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.2 t -54.73 -45.72 74.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.63 -51.98 62.83 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.268 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -55.27 -46.24 76.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.976 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.445 ' O ' HD12 ' S' ' 57' ' ' ILE . 3.2 tpm_? -65.31 -48.52 72.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.944 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.44 -50.72 67.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 123.329 1.538 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -39.32 90.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 112.073 -2.33 . . . . 0.0 111.514 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.431 HD13 ' N ' ' S' ' 57' ' ' ILE . 0.1 OUTLIER -50.14 -46.43 53.89 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.832 0.708 . . . . 0.0 111.216 176.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.445 HD12 ' O ' ' S' ' 53' ' ' ARG . 2.7 mp -57.66 -47.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.309 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.03 71.69 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.816 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -68.35 -24.49 64.82 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 113.567 -1.651 . . . . 0.0 111.841 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.79 -43.25 84.41 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.856 -1.538 . . . . 0.0 110.879 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.56 -49.7 76.5 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.564 -1.653 . . . . 0.0 108.795 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.2 64.23 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.334 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 63' ' ' SER . . . . . 0.716 ' O ' HD22 ' S' ' 66' ' ' LEU . 25.6 p -66.06 -39.18 89.89 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.203 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.56 -41.57 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 117.73 -1.588 . . . . 0.0 109.499 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -85.27 12.61 7.76 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.264 -1.334 . . . . 0.0 112.59 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.716 HD22 ' O ' ' S' ' 63' ' ' SER . 1.1 pt? -60.96 -29.75 69.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.919 -175.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 67' ' ' SER . . . . . 0.569 ' H ' HD23 ' S' ' 66' ' ' LEU . 26.3 t -112.33 72.56 0.78 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.325 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -66.91 -88.74 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.654 1.221 . . . . 0.0 111.011 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.427 ' O ' HD12 ' S' ' 69' ' ' LEU . 0.7 OUTLIER 172.59 -56.18 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.644 -170.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.63 -168.76 0.42 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 CA-C-O 122.305 0.877 . . . . 0.0 111.983 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -85.52 -8.36 58.37 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.891 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 68.26 107.65 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 O-C-N 124.488 1.117 . . . . 0.0 110.897 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.13 140.5 22.54 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 121.128 1.219 . . . . 0.0 110.314 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 52.04 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.967 -1.924 . . . . 0.0 108.335 -172.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.439 ' H ' HD23 ' S' ' 75' ' ' LEU . 1.4 pt? -124.63 -171.65 2.39 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.768 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 tptp . . . . . 0 CA--C 1.541 0.601 0 O-C-N 125.563 1.789 . . . . 0.0 108.507 178.382 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 90.2 mt -146.06 -82.28 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.533 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.96 179.81 1.87 Allowed 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.94 -61.96 0.08 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.604 -2.089 . . . . 0.0 107.328 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.06 -76.26 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -171.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.47 -16.05 58.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.924 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -88.05 -22.83 23.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.85 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -148.59 93.51 2.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.679 -1.601 . . . . 0.0 107.141 -171.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -141.81 -104.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -50.71 -45.5 58.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.339 0.59 . . . . 0.0 111.806 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 36.1 m -50.74 -56.84 10.14 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.344 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -64.52 -45.4 87.39 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 123.081 1.419 . . . . 0.0 109.291 -168.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 3.0 ttp -71.25 -38.84 71.9 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 112.104 -2.316 . . . . 0.0 111.399 -173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.45 -45.04 81.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 123.115 1.436 . . . . 0.0 110.252 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -32.88 67.73 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.861 -2.427 . . . . 0.0 111.895 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 83.6 t -77.56 -39.72 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 O-C-N 124.349 1.031 . . . . 0.0 111.36 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -53.12 -49.15 67.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 123.608 1.671 . . . . 0.0 110.984 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 18' ' ' VAL . . . . . 0.426 HG12 HH11 ' S' ' 55' ' ' ARG . 70.1 t -62.17 -21.14 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.44 0 CA-C-N 111.843 -2.435 . . . . 0.0 111.753 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -50.01 65.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 121.916 0.865 . . . . 0.0 108.909 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.06 -43.06 99.65 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.512 -2.131 . . . . 0.0 109.573 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.76 72.31 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.988 -1.46 . . . . 0.0 111.465 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.44 88.03 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.782 -1.553 . . . . 0.0 112.318 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 23' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -58.26 -41.23 83.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.123 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 -41.71 67.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.985 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.557 HG21 HG23 ' S' ' 40' ' ' VAL . 5.1 t -74.82 -21.31 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 118.075 -1.45 . . . . 0.0 111.811 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -22.94 66.81 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.403 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.73 -0.65 1.06 Allowed 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.173 -1.376 . . . . 0.0 112.402 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -56.33 -23.75 39.33 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.63 -30.53 70.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 117.278 -1.769 . . . . 0.0 111.515 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 5.29 36.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.902 -1.954 . . . . 0.0 112.025 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -44.52 -17.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.546 2.738 . . . . 0.0 115.712 -172.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -26.57 3.61 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.339 167.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.64 159.59 32.68 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 126.925 2.09 . . . . 0.0 107.936 170.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.13 132.53 42.14 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 122.168 1.912 . . . . 0.0 115.542 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.23 129.06 19.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mt -85.69 82.03 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.202 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.34 86.87 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.374 -1.284 . . . . 0.0 112.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.28 -32.27 47.84 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.924 0.868 . . . . 0.0 112.335 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -25.54 68.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.357 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.557 HG23 HG21 ' S' ' 25' ' ' VAL . 1.4 p -55.01 -38.26 45.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 122.271 1.034 . . . . 0.0 111.673 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -83.01 -43.54 16.24 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.252 -1.794 . . . . 0.0 109.723 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -67.23 -29.95 69.73 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.246 -1.343 . . . . 0.0 112.263 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 8.69 21.55 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.573 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -105.9 109.12 62.87 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.533 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.36 127.82 14.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 N-CA-C 108.877 -1.24 . . . . 0.0 108.877 169.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -49.39 -34.67 16.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.91 -1.495 . . . . 0.0 112.406 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 47' ' ' HIS . . . . . 0.445 ' HB2' HD23 ' S' ' 48' ' ' LEU . 13.6 m170 -42.05 -29.77 0.24 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 111.689 -2.505 . . . . 0.0 113.433 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 48' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.2 OUTLIER -143.28 59.99 1.4 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.059 -178.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -29.16 68.25 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 113.89 -1.504 . . . . 0.0 113.116 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -73.57 -26.22 60.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 117.232 -1.787 . . . . 0.0 111.306 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -67.11 -52.45 41.66 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.944 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 52' ' ' PHE . . . . . 0.41 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.7 OUTLIER -61.16 -44.85 96.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.173 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.55 ' HE ' HD23 ' S' ' 56' ' ' LEU . 0.9 OUTLIER -60.59 -53.84 52.66 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 117.846 -1.542 . . . . 0.0 110.605 -171.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.54 -49.58 74.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 113.866 -1.516 . . . . 0.0 110.988 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.426 HH11 HG12 ' S' ' 18' ' ' VAL . 6.2 ptm180 -67.08 -23.83 65.89 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 117.458 -1.697 . . . . 0.0 112.328 -174.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 56' ' ' LEU . . . . . 0.55 HD23 ' HE ' ' S' ' 53' ' ' ARG . 0.3 OUTLIER -60.18 -37.4 80.07 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.066 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.25 -36.85 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.216 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.18 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.048 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 7.6 m-70 -67.97 -45.17 74.95 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.447 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.55 -36.9 77.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.711 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.408 HD22 ' O ' ' S' ' 61' ' ' LEU . 0.2 OUTLIER -59.1 -44.43 91.96 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.377 175.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.87 70.39 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.786 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -51.84 -50.4 60.96 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.197 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.5 -39.16 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.52 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -70.76 -31.15 67.85 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.424 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp 140.8 -6.27 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 125.887 1.992 . . . . 0.0 112.175 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 10.2 t 78.45 52.43 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 122.358 1.075 . . . . 0.0 111.817 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -85.42 43.89 1.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.182 -1.826 . . . . 0.0 113.059 -171.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 27.87 63.3 0.65 Allowed Pre-proline 0 CA--C 1.567 1.615 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.39 165.7 31.17 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 121.706 1.604 . . . . 0.0 112.667 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -122.06 156.53 33.35 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.435 -1.711 . . . . 0.0 108.063 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 72' ' ' GLU . . . . . 0.533 ' H ' ' HD2' ' S' ' 73' ' ' PRO . 18.7 mm-40 -141.75 -52.42 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 125.044 1.465 . . . . 0.0 112.77 -170.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 73' ' ' PRO . . . . . 0.533 ' HD2' ' H ' ' S' ' 72' ' ' GLU . 4.3 Cg_endo -59.59 -155.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.374 1.912 0 CA-C-N 118.925 0.652 . . . . 0.0 113.712 171.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 107.35 0.14 Allowed 'General case' 0 C--N 1.359 0.994 0 CA-C-O 121.165 0.507 . . . . 0.0 110.948 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 127.43 31.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 126.333 2.27 . . . . 0.0 109.397 -174.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 -176.191 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 C--O 1.226 -0.168 0 N-CA-C 103.444 -2.798 . . . . 0.0 103.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? 72.76 -78.51 0.05 OUTLIER 'General case' 0 C--N 1.349 0.571 0 O-C-N 125.492 1.745 . . . . 0.0 109.291 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 mttp 77.85 121.38 0.05 OUTLIER 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.744 1.902 . . . . 0.0 108.44 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -81.38 -143.53 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.1 60.57 1.99 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 122.692 1.234 . . . . 0.0 112.476 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 6' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' S' ' 12' ' ' GLU . . . 62.89 27.83 16.14 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.561 -2.108 . . . . 0.0 112.121 177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.37 33.18 22.32 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.658 -173.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 8' ' ' LEU . . . . . 0.482 ' O ' HD23 ' S' ' 8' ' ' LEU . 1.4 tt 75.32 -5.23 2.21 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.227 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.01 91.63 4.26 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.572 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.88 -36.95 40.67 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.736 1.255 . . . . 0.0 111.383 171.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -38.86 74.83 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.471 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 12' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' S' ' 6' ' ' ALA . 20.8 mm-40 -57.92 -43.64 86.37 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.123 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.71 -56.17 25.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.967 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.08 -47.5 65.16 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.056 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -67.44 -35.14 78.65 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.253 -1.794 . . . . 0.0 111.617 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 16' ' ' VAL . . . . . 0.452 HG23 ' O ' ' S' ' 12' ' ' GLU . 14.5 t -63.22 -40.29 88.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.821 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -55.98 -44.37 78.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 118.494 -1.282 . . . . 0.0 111.192 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.61 -38.28 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.772 -1.558 . . . . 0.0 111.628 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 19' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' S' ' 22' ' ' ALA . 26.3 t0 -54.75 -53.68 51.9 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.367 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.15 -40.45 85.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.71 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.574 ' O ' HG23 ' S' ' 25' ' ' VAL . . . -54.01 -40.19 66.77 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.585 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' S' ' 19' ' ' ASP . . . -55.23 -46.28 75.99 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.011 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 23' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -57.74 -45.89 85.23 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.757 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -34.76 61.87 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 112.574 -2.103 . . . . 0.0 113.064 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.776 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -75.32 -35.41 33.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 118.373 -1.331 . . . . 0.0 110.294 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.29 66.91 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.352 1.072 . . . . 0.0 111.528 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.36 0.7 0.26 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.377 -1.738 . . . . 0.0 113.213 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -51.06 -24.38 3.84 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 163.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -32.5 73.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 116.29 -2.164 . . . . 0.0 111.61 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 -89.2 19.08 4.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.508 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 31' ' ' TYR . . . . . 0.588 ' HA ' HG12 ' S' ' 35' ' ' VAL . 1.0 OUTLIER -64.04 -4.64 3.63 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -19.34 63.31 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.219 167.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 164.19 15.98 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 168.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.19 112.12 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 122.424 0.697 . . . . 0.0 113.035 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 35' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' S' ' 31' ' ' TYR . 9.5 p -141.88 110.77 2.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 169.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.664 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.8 mt -93.33 111.11 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 113.612 -1.631 . . . . 0.0 108.474 -177.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.26 -17.84 63.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 112.588 -2.096 . . . . 0.0 112.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -54.83 6.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.185 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.664 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -54.65 -47.73 73.17 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.588 -170.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.776 HG21 HG22 ' S' ' 25' ' ' VAL . 6.4 m -50.08 -44.86 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 113.706 -1.588 . . . . 0.0 112.077 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -73.56 -25.9 60.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.76 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -82.25 -20.9 36.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.201 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -82.89 -0.68 49.48 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.856 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 44' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' S' ' 44' ' ' GLN . 0.0 OUTLIER -87.9 133.99 36.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.84 122.02 10.76 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 119.97 0.447 . . . . 0.0 111.75 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.06 -28.6 10.73 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.848 1.309 . . . . 0.0 112.862 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -53.95 -15.99 1.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 112.307 -2.224 . . . . 0.0 114.279 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.92 42.62 1.13 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 121.667 0.746 . . . . 0.0 112.428 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -53.41 -41.35 65.91 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.337 1.065 . . . . 0.0 112.851 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 35.9 m -59.43 -33.58 71.44 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.304 -1.771 . . . . 0.0 112.399 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.49 -42.86 99.78 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -46.89 84.92 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.726 -2.034 . . . . 0.0 110.5 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -55.81 -41.85 74.8 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.618 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.17 -51.43 69.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.31 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -68.89 -26.32 65.05 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.672 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.45 -46.69 86.05 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.842 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -58.3 -44.06 87.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 117.917 -1.513 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.02 79.36 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.719 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 23.9 m-70 -71.54 -28.19 63.7 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 113.631 -1.622 . . . . 0.0 112.594 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -64.82 -44.57 89.43 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.47 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.06 -48.56 67.58 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.886 1.366 . . . . 0.0 110.483 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.76 84.08 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.408 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -62.79 -47.03 85.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.414 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.35 -29.42 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 117.279 -1.768 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.72 -16.8 60.73 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.154 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 66' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' S' ' 68' ' ' ARG . 1.4 mt -8.31 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.424 1.889 . . . . 0.0 113.165 -172.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t 52.35 -66.91 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 O-C-N 126.929 2.643 . . . . 0.0 113.627 168.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' S' ' 66' ' ' LEU . 0.3 OUTLIER 51.02 49.25 21.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 123.662 1.696 . . . . 0.0 111.215 167.22 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.898 ' H ' HD13 ' S' ' 69' ' ' LEU . 0.0 OUTLIER -70.83 164.89 51.95 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 109.935 -3.302 . . . . 0.0 108.098 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.22 -150.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 O-C-N 123.684 1.36 . . . . 0.0 115.123 172.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -174.05 2.71 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.08 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.91 104.31 54.18 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.497 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -47.22 -85.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.294 1.996 . . . . 0.0 115.063 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tptm 162.26 122.3 0.0 OUTLIER 'General case' 0 C--N 1.345 0.379 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.4 105.39 1.78 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 170.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 O-C-N 126.404 2.315 . . . . 0.0 112.02 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 1' ' ' MET . . . . . 0.571 ' C ' HD13 ' S' ' 2' ' ' LEU . 1.9 mmt . . . . . 0 C--O 1.222 -0.379 0 N-CA-C 103.25 -2.871 . . . . 0.0 103.25 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 2' ' ' LEU . . . . . 0.571 HD13 ' C ' ' S' ' 1' ' ' MET . 0.0 OUTLIER -147.88 156.48 42.74 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 -177.316 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt 73.83 -8.94 1.3 Allowed 'General case' 0 CA--C 1.548 0.894 0 O-C-N 125.354 1.659 . . . . 0.0 111.701 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 4' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' S' ' 2' ' ' LEU . 32.7 m120 -117.55 105.84 12.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mp -75.67 64.7 1.74 Allowed 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.787 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 6' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' S' ' 9' ' ' ASP . . . 48.26 31.55 2.71 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -175.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.64 17.27 10.58 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.572 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mt 135.07 102.87 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 130.596 3.558 . . . . 0.0 108.562 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 9' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' S' ' 6' ' ' ALA . 53.2 t0 -148.34 -81.88 0.12 Allowed 'General case' 0 C--N 1.359 1.022 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.454 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -53.49 -51.27 63.31 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 122.843 1.306 . . . . 0.0 110.643 -178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -53.95 -41.5 67.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 111.84 -2.436 . . . . 0.0 111.23 171.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.97 -38.46 91.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.069 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mtt -56.72 -54.14 49.69 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.973 0.796 . . . . 0.0 111.361 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.24 -38.55 71.24 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.062 1.411 . . . . 0.0 111.328 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' CZ2' ' S' ' 51' ' ' TRP . 14.4 mtpp -71.17 -28.2 64.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.947 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.41 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -36.31 80.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 118.0 -1.48 . . . . 0.0 110.953 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.45 -40.26 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -41.8 93.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.442 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 20' ' ' LEU . . . . . 0.425 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.38 -51.18 63.35 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.238 0.961 . . . . 0.0 110.776 176.381 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 21' ' ' ALA . . . . . 0.425 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.7 -45.78 88.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.29 79.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.107 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 23' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -59.51 -41.89 90.95 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.97 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.77 -32.28 54.69 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-N 112.438 -2.165 . . . . 0.0 113.262 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.823 HG22 HG21 ' S' ' 40' ' ' VAL . 2.7 t -72.55 -39.88 62.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-O 122.068 0.937 . . . . 0.0 110.219 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.29 75.19 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.122 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.72 33.06 0.25 Allowed 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.949 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.8 -8.03 32.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.368 0.604 . . . . 0.0 111.598 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.75 -17.62 24.61 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.365 1.079 . . . . 0.0 111.71 168.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -64.09 15.61 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.404 163.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -62.54 -16.76 57.67 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 120.52 1.509 . . . . 0.0 111.704 172.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -64.22 -11.0 26.9 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 113.74 -1.573 . . . . 0.0 112.443 169.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ptm -137.48 -167.42 0.15 Allowed Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 127.319 2.248 . . . . 0.0 105.069 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -86.01 126.36 2.84 Favored 'Trans proline' 0 C--N 1.363 1.313 0 C-N-CA 120.596 0.864 . . . . 0.0 113.327 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.27 141.44 28.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 169.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.449 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.0 mt -136.51 111.49 10.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 124.741 1.275 . . . . 0.0 108.977 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.01 70.56 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.941 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -66.82 -46.97 73.47 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.368 173.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.449 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -63.78 -48.1 78.25 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.972 -166.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.823 HG21 HG22 ' S' ' 25' ' ' VAL . 15.7 m -54.68 -49.92 64.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-N 113.095 -1.866 . . . . 0.0 111.968 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -60.68 -34.72 74.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.59 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -27.83 30.64 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.598 -176.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -72.18 -36.68 69.32 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.723 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 137.15 96.38 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.059 173.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.92 115.4 4.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 120.706 0.937 . . . . 0.0 111.367 172.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -48.48 -27.7 2.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.473 -1.239 . . . . 0.0 113.399 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 47' ' ' HIS . . . . . 0.433 ' HB2' HD23 ' S' ' 48' ' ' LEU . 34.6 m80 -45.02 -34.67 2.58 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.077 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 48' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.1 OUTLIER -124.27 45.98 2.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.394 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -37.14 64.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.726 177.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -59.87 -34.25 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.09 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 51' ' ' TRP . . . . . 0.422 ' CZ2' ' HB3' ' S' ' 15' ' ' LYS . 74.8 t-105 -64.38 -45.21 88.69 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.632 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -45.03 94.68 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.965 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -50.23 74.4 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.416 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -61.09 -44.18 97.75 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.863 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' CZ2' ' S' ' 51' ' ' TRP . 0.0 OUTLIER -69.1 -30.67 69.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.38 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.21 -46.96 75.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.691 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.81 -44.82 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.512 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.71 81.13 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.95 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 60.6 m-70 -75.55 -29.74 59.48 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.274 -177.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' S' ' 60' ' ' ARG . 0.2 OUTLIER -61.78 -50.29 72.94 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.934 173.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.59 -51.47 55.25 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.598 -1.637 . . . . 0.0 110.575 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.67 69.97 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.092 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -68.45 -49.33 60.63 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.398 -177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -36.21 60.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -81.14 -26.58 36.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.82 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 tt -13.75 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 128.723 2.809 . . . . 0.0 114.356 -171.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -141.45 31.38 1.7 Allowed 'General case' 0 C--N 1.345 0.403 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.605 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -39.42 84.3 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.847 1.308 . . . . 0.0 109.93 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.414 HD12 ' HD2' ' S' ' 70' ' ' PRO . 6.3 tp -109.1 124.96 32.62 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 111.375 -2.648 . . . . 0.0 105.159 173.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 70' ' ' PRO . . . . . 0.414 ' HD2' HD12 ' S' ' 69' ' ' LEU . 72.6 Cg_endo -76.23 -149.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.453 0 O-C-N 123.324 1.17 . . . . 0.0 109.936 172.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -100.29 -86.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 62.61 155.97 0.12 Allowed Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 113.636 -1.62 . . . . 0.0 110.618 -165.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 73' ' ' PRO . . . . . 0.4 ' HB2' ' H ' ' S' ' 74' ' ' LYS . 72.5 Cg_endo -76.97 -144.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.335 0 N-CA-C 109.289 -1.081 . . . . 0.0 109.289 176.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 74' ' ' LYS . . . . . 0.4 ' H ' ' HB2' ' S' ' 73' ' ' PRO . 0.0 OUTLIER -173.64 121.03 0.32 Allowed 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -170.044 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.427 HD13 ' H ' ' S' ' 76' ' ' LYS . 0.2 OUTLIER 73.69 146.0 0.08 Allowed 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.508 1.755 . . . . 0.0 109.381 -176.291 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 76' ' ' LYS . . . . . 0.427 ' H ' HD13 ' S' ' 75' ' ' LEU . 12.7 tptp . . . . . 0 CA--C 1.543 0.676 0 CA-C-N 112.562 -2.108 . . . . 0.0 111.116 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -171.8 -28.8 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 O-C-N 125.97 2.044 . . . . 0.0 111.897 -170.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -147.41 -169.72 3.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 110.958 -2.837 . . . . 0.0 103.788 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 4' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' S' ' 6' ' ' ALA . 0.3 OUTLIER -161.91 95.07 0.96 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.829 1.956 . . . . 0.0 106.139 -169.469 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.48 23.34 0.31 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.688 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 6' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' S' ' 4' ' ' ASN . . . 56.55 24.68 8.97 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tptp 46.23 36.19 3.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 112.875 -1.966 . . . . 0.0 112.626 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 74.94 83.34 0.1 Allowed 'General case' 0 C--N 1.353 0.729 0 O-C-N 125.627 1.83 . . . . 0.0 109.935 -175.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -160.61 -108.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.372 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.7 67.6 Favored 'General case' 0 C--O 1.217 -0.628 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.042 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.47 -48.97 77.29 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.643 -1.223 . . . . 0.0 111.81 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -38.11 89.9 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.023 -1.071 . . . . 0.0 110.403 -168.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 48.8 mmm -79.95 -34.12 39.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.845 -1.979 . . . . 0.0 111.864 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 14' ' ' ASP . . . . . 0.505 ' O ' HG23 ' S' ' 18' ' ' VAL . 9.0 t70 -54.05 -42.9 69.75 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.606 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -52.25 -42.24 63.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.456 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 16' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' S' ' 19' ' ' ASP . 16.8 t -66.05 -45.15 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.17 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -50.03 -48.78 52.55 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 122.21 1.005 . . . . 0.0 111.559 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 18' ' ' VAL . . . . . 0.505 HG23 ' O ' ' S' ' 14' ' ' ASP . 3.8 t -63.37 -30.4 49.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.133 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 19' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' S' ' 16' ' ' VAL . 45.1 t0 -55.23 -51.68 65.82 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.175 173.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.14 -50.73 72.5 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.259 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.9 67.98 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.099 -1.409 . . . . 0.0 111.774 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' S' ' 59' ' ' HIS . . . -63.04 -32.48 73.85 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.397 -1.728 . . . . 0.0 111.285 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.05 65.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.636 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -25.19 54.86 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.92 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 25' ' ' VAL . . . . . 0.788 HG22 HG21 ' S' ' 40' ' ' VAL . 3.3 t -73.05 -30.38 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.083 0.944 . . . . 0.0 110.54 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.09 -19.68 64.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.141 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -62.77 -6.96 4.13 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.768 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' S' ' 29' ' ' GLU . 22.3 ttpp -50.87 -34.32 27.63 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.075 0.464 . . . . 0.0 112.19 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 29' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -68.26 -32.19 72.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 116.958 -1.897 . . . . 0.0 111.148 177.237 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -88.42 18.28 4.63 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.897 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 31' ' ' TYR . . . . . 0.486 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.0 t80 -67.06 10.64 0.14 Allowed 'General case' 0 CA--C 1.558 1.254 0 CA-C-O 122.19 0.995 . . . . 0.0 113.383 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.02 -19.48 65.22 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.116 163.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 5.3 mmm -113.02 172.56 3.44 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 113.859 -1.519 . . . . 0.0 107.727 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -55.34 127.96 28.46 Favored 'Trans proline' 0 C--N 1.364 1.36 0 C-N-CA 121.691 1.594 . . . . 0.0 115.086 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 35' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.5 OUTLIER -137.98 148.32 25.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.145 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 36' ' ' ILE . . . . . 0.492 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.1 mt -133.23 85.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-O 122.786 1.279 . . . . 0.0 109.508 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.57 -19.43 62.16 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 112.447 -2.161 . . . . 0.0 113.229 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.69 -47.75 21.05 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.47 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 39' ' ' ALA . . . . . 0.492 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.245 -164.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 40' ' ' VAL . . . . . 0.788 HG21 HG22 ' S' ' 25' ' ' VAL . 20.5 m -51.1 -39.59 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-N 112.966 -1.925 . . . . 0.0 113.082 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -77.55 -15.96 58.94 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.34 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -28.02 14.55 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 174.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -74.87 -28.16 60.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.057 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 137.58 89.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.139 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.04 117.57 5.18 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 120.99 1.127 . . . . 0.0 110.941 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -58.51 -25.42 62.38 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.784 -173.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 47' ' ' HIS . . . . . 0.564 ' HB2' HD23 ' S' ' 48' ' ' LEU . 9.7 m80 -50.94 -20.25 1.28 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 112.704 -2.043 . . . . 0.0 113.522 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 48' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.3 OUTLIER -146.72 58.23 1.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.361 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -40.23 60.43 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.146 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -54.66 -44.12 73.0 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.988 -1.914 . . . . 0.0 111.147 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 51' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' S' ' 48' ' ' LEU . 73.8 t-105 -58.81 -44.07 90.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.063 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.85 -47.01 81.36 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.503 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 53' ' ' ARG . . . . . 0.414 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -64.24 -50.96 65.94 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 112.948 -1.933 . . . . 0.0 111.415 -175.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.45 -49.03 77.56 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.461 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.542 HH21 ' CD2' ' S' ' 59' ' ' HIS . 6.6 mmm180 -58.88 -35.5 73.09 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -45.18 64.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.066 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 57' ' ' ILE . . . . . 0.414 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.3 mp -60.82 -45.27 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.748 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.2 75.58 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.298 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 59' ' ' HIS . . . . . 0.542 ' CD2' HH21 ' S' ' 55' ' ' ARG . 28.7 m170 -74.73 -30.41 61.49 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.936 -1.938 . . . . 0.0 111.238 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 60' ' ' ARG . . . . . 0.41 ' O ' HG22 ' S' ' 64' ' ' VAL . 22.4 mmm-85 -60.38 -49.3 78.15 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.885 1.365 . . . . 0.0 109.015 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -51.24 66.76 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.552 176.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.31 74.28 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.402 -1.272 . . . . 0.0 112.004 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -57.69 -59.26 5.47 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.811 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 64' ' ' VAL . . . . . 0.41 HG22 ' O ' ' S' ' 60' ' ' ARG . 0.0 OUTLIER -64.99 -29.01 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.283 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 65' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' S' ' 67' ' ' SER . 57.7 t30 -65.74 -24.85 67.05 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.361 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 92.1 mt 43.29 -75.98 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.492 1.917 . . . . 0.0 114.988 172.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 67' ' ' SER . . . . . 0.431 ' N ' ' O ' ' S' ' 65' ' ' ASN . 46.5 t -40.23 -37.73 0.68 Allowed 'General case' 0 C--N 1.349 0.56 0 C-N-CA 127.009 2.124 . . . . 0.0 111.759 169.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 64.65 4.29 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.456 -1.702 . . . . 0.0 113.65 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 mt 46.87 85.84 0.16 Allowed Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 124.771 1.294 . . . . 0.0 111.458 -169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.34 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.363 1.297 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.66 125.84 25.6 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 118.224 -1.39 . . . . 0.0 108.339 170.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -124.89 138.34 31.25 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.161 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.93 148.0 21.74 Favored 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 122.051 1.834 . . . . 0.0 110.188 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER 59.88 -174.15 0.11 Allowed 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.631 1.832 . . . . 0.0 110.536 -178.088 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.81 -161.49 0.84 Allowed 'General case' 0 C--N 1.346 0.422 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.465 0 O-C-N 125.346 1.654 . . . . 0.0 107.696 172.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . 0.5 ' O ' HG23 ' S' ' 18' ' ' VAL . 13.7 t70 -54.92 -48.16 73.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.106 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.919 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -30.78 44.47 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 125.143 1.527 . . . . 0.0 111.726 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.44 -37.14 71.45 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.685 1.231 . . . . 0.0 110.643 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . 0.5 HG23 ' O ' ' S' ' 14' ' ' ASP . 67.2 t -58.24 -38.3 67.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 CA-C-N 113.468 -1.696 . . . . 0.0 112.022 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' HD2' ' S' ' 55' ' ' ARG . 0.0 OUTLIER -64.28 -39.83 94.74 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.687 -177.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.76 -44.64 90.66 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.297 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.79 87.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.541 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' S' ' 56' ' ' LEU . . . -56.53 -42.1 77.88 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.711 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -60.98 -40.71 94.51 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.102 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.1 -38.7 56.51 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 113.141 -1.845 . . . . 0.0 112.326 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.784 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -67.34 -26.71 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 118.629 -1.229 . . . . 0.0 111.733 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -69.6 -16.34 63.38 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.607 -1.178 . . . . 0.0 111.401 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.97 -4.9 10.76 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.409 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.25 -25.31 47.34 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 171.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.84 -35.97 82.37 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 116.105 -2.238 . . . . 0.0 110.434 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.58 32.67 0.71 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 112.713 -2.04 . . . . 0.0 109.99 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -66.2 -3.24 5.31 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.425 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -58.71 -20.09 45.79 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 117.93 -1.508 . . . . 0.0 111.18 165.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.99 169.04 7.15 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.45 126.53 9.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.109 1.206 . . . . 0.0 113.451 -168.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.68 124.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.474 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.1 mt -110.97 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.097 0.873 . . . . 0.0 109.697 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -32.25 64.18 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.624 -1.626 . . . . 0.0 112.689 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -44.57 93.91 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.936 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.474 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -66.6 -57.33 7.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.113 -168.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.784 HG21 HG22 ' S' ' 25' ' ' VAL . 6.3 m -49.29 -47.59 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 113.261 -1.791 . . . . 0.0 112.227 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.91 -44.37 86.77 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.059 -1.056 . . . . 0.0 111.41 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -78.28 -21.5 49.66 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.275 -1.33 . . . . 0.0 111.879 -174.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.44 -34.79 72.86 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.309 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . 0.402 HE22 ' C ' ' S' ' 48' ' ' LEU . 5.0 tm0? -71.48 128.48 89.9 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.823 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.13 118.67 5.56 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 113.911 0.696 . . . . 0.0 113.911 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -44.57 -31.68 1.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.024 -1.444 . . . . 0.0 114.115 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -47.46 -48.21 26.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.14 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 18' ' ' VAL . 0.3 OUTLIER -104.3 29.1 6.28 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.353 -1.749 . . . . 0.0 110.355 -178.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -49.18 -38.24 25.14 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.183 0.992 . . . . 0.0 113.27 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -52.44 -43.63 65.01 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.457 -1.702 . . . . 0.0 112.047 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -54.7 -42.66 71.72 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.066 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.2 -43.74 98.16 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 118.769 -1.172 . . . . 0.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.446 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -61.0 -53.06 61.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.326 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.3 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.688 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.419 ' HD2' ' OD1' ' S' ' 19' ' ' ASP . 0.1 OUTLIER -61.3 -31.21 71.04 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.812 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' S' ' 22' ' ' ALA . 0.3 OUTLIER -57.25 -45.39 84.02 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.539 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.1 mp -58.1 -43.11 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 118.935 -1.106 . . . . 0.0 110.722 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.89 92.25 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.318 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 78.5 m-70 -71.79 -26.14 62.3 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 113.845 -1.525 . . . . 0.0 112.237 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.27 -47.27 83.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.464 1.102 . . . . 0.0 108.746 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.2 OUTLIER -54.55 -47.67 72.93 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 125.053 1.471 . . . . 0.0 110.409 176.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.69 66.35 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.576 -1.647 . . . . 0.0 112.598 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . 0.674 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 53.7 p -77.96 -45.98 22.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 118.232 -1.387 . . . . 0.0 110.445 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.17 -29.49 36.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.869 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.884 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.208 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 80.5 mtp . . . . . 0 CA--C 1.544 0.725 0 CA-C-O 121.561 0.696 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . 0.668 ' O ' HG23 ' S' ' 18' ' ' VAL . 28.0 t70 -49.18 -41.25 36.07 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.712 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.52 -44.62 93.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.301 -1.772 . . . . 0.0 110.701 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -37.75 81.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 118.374 -1.331 . . . . 0.0 110.362 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -58.87 -41.51 87.22 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.576 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . 0.762 HG21 HD22 ' S' ' 48' ' ' LEU . 39.7 t -62.3 -31.95 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.135 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.49 -45.33 94.68 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.109 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.45 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -56.11 -52.49 64.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 113.272 -1.785 . . . . 0.0 110.246 175.256 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.45 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -59.02 -53.81 54.24 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.738 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.98 80.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.39 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.01 79.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.928 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.37 -28.71 55.72 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 113.912 -1.494 . . . . 0.0 112.695 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.516 HG21 HG11 ' S' ' 40' ' ' VAL . 7.6 t -67.58 -33.22 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 119.215 -0.994 . . . . 0.0 110.677 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.17 66.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.239 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' S' ' 35' ' ' VAL . 15.1 t80 -61.95 -6.84 3.12 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.868 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -50.2 -24.86 3.1 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 170.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -36.67 68.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 117.304 -1.759 . . . . 0.0 110.58 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -87.64 26.6 1.26 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.079 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . 0.456 ' HA ' HG12 ' S' ' 35' ' ' VAL . 39.0 t80 -64.41 -2.04 2.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.827 0.822 . . . . 0.0 113.148 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -53.84 -25.74 21.09 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.161 166.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.5 mmm -111.21 166.08 11.49 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.152 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.94 112.1 3.32 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 120.302 0.668 . . . . 0.0 112.654 -167.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' S' ' 27' ' ' PHE . 14.9 p -139.86 119.16 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 113.901 -1.499 . . . . 0.0 108.446 171.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.49 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.4 mt -101.73 100.79 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.53 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . 0.473 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -62.27 -48.51 79.57 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.011 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.64 -37.91 52.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.917 -175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.49 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -58.19 -30.38 66.4 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.393 -1.731 . . . . 0.0 111.429 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.516 HG11 HG21 ' S' ' 25' ' ' VAL . 0.9 OUTLIER -58.47 -43.83 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 122.3 1.048 . . . . 0.0 111.374 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -68.79 -33.66 74.24 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.385 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -71.29 -34.29 70.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.953 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -74.57 -29.57 61.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.627 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . 0.652 ' NE2' HG22 ' S' ' 18' ' ' VAL . 2.2 mm100 -117.39 92.56 40.67 Favored Pre-proline 0 CA--C 1.554 1.107 0 O-C-N 124.104 0.878 . . . . 0.0 110.333 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -53.57 152.04 22.61 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.306 2.004 . . . . 0.0 116.207 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -48.51 -23.75 1.07 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.537 -1.665 . . . . 0.0 114.475 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -23.08 13.85 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . 0.762 HD22 HG21 ' S' ' 18' ' ' VAL . 3.2 pp -116.05 25.17 10.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.884 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . 0.613 ' HD3' HH12 ' S' ' 53' ' ' ARG . 0.0 OUTLIER -55.37 -31.0 61.41 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.4 p -66.16 -48.77 69.68 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.615 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -57.22 -51.44 69.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.554 -1.657 . . . . 0.0 110.373 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -57.45 -41.32 80.27 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.294 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.613 HH12 ' HD3' ' S' ' 49' ' ' ARG . 0.0 OUTLIER -56.28 -59.07 5.47 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.976 178.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.89 -41.92 78.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.763 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -38.52 90.02 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.026 -1.897 . . . . 0.0 111.764 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.422 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.2 OUTLIER -49.69 -42.16 45.02 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.954 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.7 -35.06 63.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.118 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.67 71.47 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 123.161 1.457 . . . . 0.0 110.456 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -74.57 -36.86 63.05 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.124 -170.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -59.72 -43.54 94.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.133 -1.427 . . . . 0.0 110.335 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.92 -49.99 71.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.263 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.65 76.63 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.853 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -60.61 -48.75 80.39 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.633 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.26 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.858 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 118.032 -1.467 . . . . 0.0 111.47 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 13.1 mmt . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 120.754 0.311 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -55.79 -44.51 77.83 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.023 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -60.87 -39.38 88.98 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.288 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.47 -32.78 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.323 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.2 -46.21 89.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.084 0.945 . . . . 0.0 109.155 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.44 -39.04 73.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.372 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.71 -27.27 64.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.414 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 -58.37 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 126.554 2.409 . . . . 0.0 110.658 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.5 -43.25 75.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.839 1.304 . . . . 0.0 111.846 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -14.03 46.01 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.755 -2.021 . . . . 0.0 112.573 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.06 23.81 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 121.766 0.793 . . . . 0.0 110.123 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.82 57.27 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.966 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.98 HG22 HG21 ' S' ' 40' ' ' VAL . 2.9 t -56.71 -41.27 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.405 -1.397 . . . . 0.0 111.734 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.87 59.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 113.934 -1.485 . . . . 0.0 110.408 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -62.42 0.93 0.4 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 113.822 -1.535 . . . . 0.0 112.834 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -45.28 -32.7 2.08 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.73 -9.96 41.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 116.832 -1.947 . . . . 0.0 112.025 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 28.7 8.54 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.595 1.558 . . . . 0.0 109.138 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -70.63 5.04 2.04 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.271 1.034 . . . . 0.0 113.021 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -61.93 -16.8 53.75 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.801 160.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.92 148.73 39.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -63.11 116.97 3.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 120.788 0.992 . . . . 0.0 113.139 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.82 97.97 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 122.915 1.34 . . . . 0.0 108.901 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.51 91.71 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.653 -1.612 . . . . 0.0 109.676 -173.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.21 17.72 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 113.528 -1.669 . . . . 0.0 114.045 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -46.34 56.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.084 0.945 . . . . 0.0 110.517 173.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.01 90.45 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.01 -161.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.98 HG21 HG22 ' S' ' 25' ' ' VAL . 13.2 m -47.06 -39.54 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.547 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.88 -11.56 58.1 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.383 -173.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -86.14 -45.35 11.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.207 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.88 -46.65 80.9 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.125 -1.852 . . . . 0.0 111.861 -175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 135.36 91.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.217 -170.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.75 124.78 16.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 1.1 . . . . 0.0 114.403 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.73 -29.37 62.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.64 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -70.51 11.05 0.39 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.55 34.01 0.7 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.309 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.81 -46.72 10.79 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.239 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -49.6 -42.38 44.47 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.195 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -65.22 -41.4 94.45 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.105 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.87 -43.79 97.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.514 -1.675 . . . . 0.0 110.432 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -62.75 -45.53 92.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.635 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -53.73 -50.55 65.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.244 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -66.53 -31.08 71.58 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 112.216 -2.265 . . . . 0.0 112.008 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -46.46 87.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.226 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.47 -52.46 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.902 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.06 63.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.065 -1.88 . . . . 0.0 111.832 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -74.98 -22.54 58.49 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 113.484 -1.689 . . . . 0.0 112.413 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -66.76 -48.01 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 117.055 -1.858 . . . . 0.0 109.129 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.77 -45.0 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.861 -1.972 . . . . 0.0 111.712 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.33 98.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.601 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.52 -171.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 24.1 m -64.87 -49.05 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 118.04 -1.464 . . . . 0.0 110.502 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 CA--C 1.548 0.9 0 C-N-CA 117.615 -1.634 . . . . 0.0 112.183 -177.525 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.5 mmm . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 122.751 1.262 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -51.28 -44.23 61.79 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.651 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -54.95 -49.61 70.93 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.574 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 m -67.89 -36.52 75.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 C-N-CA 119.106 -1.038 . . . . 0.0 111.645 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.27 -48.66 78.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.355 1.074 . . . . 0.0 111.047 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.82 -32.97 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.298 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.37 -45.15 92.22 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.362 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.472 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.41 -52.71 58.48 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.018 172.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.472 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.62 -54.34 48.16 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.097 -1.865 . . . . 0.0 112.001 -172.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -43.92 88.24 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.411 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.62 76.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.379 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -35.86 63.1 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.901 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.543 HG22 HG12 ' S' ' 40' ' ' VAL . 12.2 t -70.63 -25.62 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 118.651 -1.219 . . . . 0.0 111.616 177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -67.66 -19.74 65.23 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.197 0.999 . . . . 0.0 111.34 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.63 -4.67 4.4 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.613 -1.63 . . . . 0.0 112.007 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.84 -24.54 62.2 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -68.9 -33.91 74.55 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 117.193 -1.803 . . . . 0.0 110.51 172.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -86.81 19.41 2.98 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.495 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . 0.485 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.4 t80 -68.19 6.35 0.77 Allowed 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.401 1.096 . . . . 0.0 112.87 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.06 -27.66 61.89 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 118.062 -1.455 . . . . 0.0 110.607 160.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtm -112.7 177.09 1.26 Allowed Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.218 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.8 125.78 20.24 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 121.216 1.277 . . . . 0.0 115.058 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.3 OUTLIER -136.87 136.42 47.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 166.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.45 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.8 mt -95.62 90.78 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 118.752 -1.179 . . . . 0.0 109.216 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.62 -19.94 64.28 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 113.659 -1.609 . . . . 0.0 113.056 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -35.0 65.44 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.834 0.825 . . . . 0.0 110.696 173.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.45 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -61.36 -35.37 77.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.039 -170.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.543 HG12 HG22 ' S' ' 25' ' ' VAL . 1.1 m -40.84 -50.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 O-C-N 124.967 1.417 . . . . 0.0 112.114 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.38 -37.37 66.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.656 -1.611 . . . . 0.0 110.744 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -78.72 -21.3 48.28 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.684 -1.143 . . . . 0.0 112.025 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . 0.435 ' HB3' ' HB1' ' S' ' 21' ' ' ALA . 52.2 mt-10 -78.82 -25.17 44.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.551 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' S' ' 52' ' ' PHE . 6.7 pt20 -101.59 91.04 2.02 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.241 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.85 146.87 84.4 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 N-CA-C 108.002 -1.576 . . . . 0.0 108.002 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -49.44 -27.35 4.1 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.912 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -13.23 22.38 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.77 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . 0.48 ' O ' HD12 ' S' ' 48' ' ' LEU . 4.6 pp -151.15 23.94 0.73 Allowed 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.734 0.647 . . . . 0.0 112.158 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -52.6 -36.48 56.31 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.231 1.015 . . . . 0.0 112.852 -168.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -58.68 -47.44 84.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.089 -1.868 . . . . 0.0 111.798 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -57.92 -52.39 65.68 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.374 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' S' ' 44' ' ' GLN . 22.8 t80 -55.3 -52.35 63.74 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.906 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.423 ' O ' HD12 ' S' ' 57' ' ' ILE . 4.5 tmt_? -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.502 -171.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -45.26 81.6 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 122.774 1.273 . . . . 0.0 109.751 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.437 ' CG ' HH11 ' S' ' 55' ' ' ARG . 0.0 OUTLIER -61.03 -33.35 73.15 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 113.023 -1.899 . . . . 0.0 111.591 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.515 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.01 -43.96 66.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.115 0.885 . . . . 0.0 110.802 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.423 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.4 mp -62.57 -51.36 73.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.419 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.76 65.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.652 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -79.16 -27.68 42.73 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.488 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.78 -45.41 89.85 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.349 -1.34 . . . . 0.0 109.541 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.24 -33.67 76.27 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.491 -1.686 . . . . 0.0 110.625 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.07 87.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.255 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . 0.575 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 99.1 p -77.2 -19.06 57.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.768 -169.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.86 -46.43 17.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 125.998 2.061 . . . . 0.0 109.883 166.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.354 0.778 0 C-N-CA 118.684 -1.206 . . . . 0.0 112.66 -173.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 82.8 mmm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.59 -38.15 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.742 0.782 . . . . 0.0 112.197 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -58.16 -36.16 72.61 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.32 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -42.67 45.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.038 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -43.53 61.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.951 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.09 -44.41 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 112.954 -1.93 . . . . 0.0 111.818 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -42.38 97.93 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.935 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.442 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -49.47 -48.19 47.92 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.443 175.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.442 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.47 -42.17 86.86 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.73 77.01 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.747 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -57.84 -38.35 75.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.032 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.98 -36.02 71.68 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.564 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.698 ' CG2' HG21 ' S' ' 40' ' ' VAL . 2.2 t -70.78 -35.17 59.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 114.272 -0.964 . . . . 0.0 110.38 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.15 83.72 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 116.869 -1.932 . . . . 0.0 109.746 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.31 17.15 0.2 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 112.258 -2.246 . . . . 0.0 112.765 175.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG11 ' S' ' 35' ' ' VAL . 0.0 OUTLIER -61.06 -10.18 5.69 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 171.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.09 -15.1 8.22 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.096 168.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -61.95 14.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.934 163.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.42 -14.74 62.6 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.405 1.457 . . . . 0.0 112.455 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -13.82 60.94 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 122.356 1.074 . . . . 0.0 111.073 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtm -126.93 -161.8 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -99.05 129.3 0.19 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 120.966 1.111 . . . . 0.0 112.041 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' S' ' 28' ' ' LYS . 4.2 p -152.06 109.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.564 171.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.413 HG22 ' H ' ' S' ' 39' ' ' ALA . 5.7 mt -85.65 89.98 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.651 -176.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . 0.514 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -51.45 -62.16 1.79 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.92 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' S' ' 38' ' ' GLU . 1.9 pm0 -46.12 -43.13 14.61 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.597 -1.183 . . . . 0.0 113.718 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.413 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -56.46 -29.88 62.24 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.935 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.698 HG21 ' CG2' ' S' ' 25' ' ' VAL . 2.2 p -54.36 -42.36 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 122.649 1.214 . . . . 0.0 112.006 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.79 -46.23 79.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.392 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -65.8 -27.11 68.02 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.246 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.25 -35.57 81.45 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.634 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -89.34 116.94 67.64 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.142 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -40.01 121.5 0.97 Allowed 'Trans proline' 0 CA--C 1.549 1.271 0 N-CA-C 115.633 1.359 . . . . 0.0 115.633 166.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.25 -24.17 10.64 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.468 -1.696 . . . . 0.0 113.544 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -27.03 11.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.569 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.81 38.92 3.01 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.208 177.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -57.04 -30.95 64.68 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.436 1.113 . . . . 0.0 112.174 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.0 m -55.19 -31.16 61.18 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.497 -1.683 . . . . 0.0 114.261 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -64.93 -47.3 78.18 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.141 1.525 . . . . 0.0 108.459 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' S' ' 40' ' ' VAL . 3.9 t80 -59.52 -50.06 75.39 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.97 -1.923 . . . . 0.0 110.871 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.456 ' O ' HD12 ' S' ' 57' ' ' ILE . 2.7 tmm_? -51.6 -50.57 59.93 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 112.538 -2.119 . . . . 0.0 110.283 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -45.22 89.83 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 118.043 -1.463 . . . . 0.0 110.094 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.55 68.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 112.843 -1.981 . . . . 0.0 111.306 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.506 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.1 OUTLIER -55.71 -47.18 77.28 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 124.118 0.886 . . . . 0.0 110.687 177.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.456 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.2 mp -62.28 -41.27 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.406 1.066 . . . . 0.0 109.823 -177.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.32 95.96 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.522 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.514 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 23.5 m-70 -68.46 -42.06 79.32 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.526 -175.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -31.21 72.32 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 117.287 -1.765 . . . . 0.0 110.245 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -44.07 82.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 122.489 1.138 . . . . 0.0 110.118 176.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.3 -37.27 72.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.197 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -59.23 -61.43 2.64 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.274 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -32.44 51.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.763 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.635 -178.628 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 121.4 0.619 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' HZ3' ' S' ' 15' ' ' LYS . 98.5 m-20 -54.9 -23.74 20.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 119.381 -0.928 . . . . 0.0 112.75 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' S' ' 14' ' ' ASP . 3.0 mmpm? -66.65 -34.67 78.4 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.814 178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.72 -40.88 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.385 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.56 -41.87 70.31 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.552 -1.203 . . . . 0.0 111.831 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' S' ' 52' ' ' PHE . 2.6 t -52.73 -43.66 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.303 174.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.01 -48.82 77.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.98 -41.77 99.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.655 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.98 79.24 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.263 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.41 78.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.64 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -61.56 -36.28 80.18 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.687 176.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.94 -39.74 69.86 Favored Glycine 0 CA--C 1.538 1.502 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.923 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.11 -33.25 62.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.04 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' S' ' 63' ' ' SER . . . -63.01 -19.42 64.33 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 121.67 0.748 . . . . 0.0 112.367 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' S' ' 35' ' ' VAL . 28.9 t80 -68.19 -3.43 10.59 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.677 172.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -13.8 5.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -74.97 -36.75 62.03 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.932 1.348 . . . . 0.0 110.483 170.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -89.21 17.88 5.59 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.638 -2.074 . . . . 0.0 110.76 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' S' ' 35' ' ' VAL . 0.1 OUTLIER -64.13 1.6 0.69 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 177.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.56 -22.05 66.05 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.809 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mmt -108.8 167.08 9.69 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 113.296 -1.774 . . . . 0.0 106.244 169.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.96 116.52 4.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 120.199 0.6 . . . . 0.0 112.107 -170.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' S' ' 27' ' ' PHE . 12.0 p -144.05 117.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.215 174.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.92 94.31 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.753 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.9 -9.68 40.63 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 113.795 -1.548 . . . . 0.0 112.966 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.63 -27.4 62.12 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.074 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.15 -40.85 61.98 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.048 0.843 . . . . 0.0 111.913 -165.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' S' ' 52' ' ' PHE . 0.1 OUTLIER -41.59 -57.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.472 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.555 172.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.1 -41.87 97.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.181 -171.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.97 -35.69 80.52 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.672 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.12 22.67 9.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.622 -1.627 . . . . 0.0 110.312 -174.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.23 103.06 53.1 Favored Pre-proline 0 C--N 1.346 0.422 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -57.69 124.58 16.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 N-CA-C 109.905 -0.844 . . . . 0.0 109.905 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.91 30.12 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.856 1.313 . . . . 0.0 112.157 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -59.36 -26.38 65.03 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.896 -2.411 . . . . 0.0 113.056 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 46.52 1.68 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.943 0.877 . . . . 0.0 110.957 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -58.1 -32.35 68.01 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 117.554 -1.659 . . . . 0.0 112.638 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.7 p -62.6 -35.94 81.16 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.411 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.62 -47.95 83.57 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.781 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . 0.626 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.5 OUTLIER -63.23 -52.95 60.11 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 126.042 2.089 . . . . 0.0 109.976 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -50.57 -56.71 10.48 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.705 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.62 -41.92 82.28 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.27 0.981 . . . . 0.0 110.659 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.38 74.93 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 118.454 -1.298 . . . . 0.0 111.199 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.463 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.13 -40.19 64.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.245 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.71 -44.34 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 118.973 -1.091 . . . . 0.0 109.759 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.05 84.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.243 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.429 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 89.7 m-70 -74.23 -25.82 59.88 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 113.206 -1.816 . . . . 0.0 112.768 -177.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -66.87 -46.58 74.54 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.741 172.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.7 -46.26 70.67 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.295 1.622 . . . . 0.0 109.656 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.91 91.71 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.369 -1.741 . . . . 0.0 112.256 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . 0.456 ' HB2' ' HB1' ' S' ' 26' ' ' ALA . 0.7 OUTLIER -61.73 -51.71 67.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 118.789 -1.165 . . . . 0.0 111.404 -176.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.39 -31.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.156 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.543 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.118 0.485 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -46.42 -38.91 9.67 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -57.67 -42.73 84.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.998 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.18 -39.84 79.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 117.495 -1.682 . . . . 0.0 109.682 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -57.1 -45.69 83.19 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.915 -1.493 . . . . 0.0 110.218 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.07 -34.93 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 112.856 -1.974 . . . . 0.0 111.698 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -63.61 -41.17 98.33 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 122.041 0.924 . . . . 0.0 110.323 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.99 -38.02 87.42 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.335 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.1 70.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.336 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -27.68 64.2 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.652 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.17 63.89 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.528 0.68 . . . . 0.0 110.33 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.78 67.9 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.583 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.554 HG22 ' CG1' ' S' ' 40' ' ' VAL . 10.7 t -63.53 -49.84 80.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.85 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -43.48 29.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.431 1.11 . . . . 0.0 112.133 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -59.08 -5.12 0.6 Allowed 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 111.582 -2.554 . . . . 0.0 113.945 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -16.24 5.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 164.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.53 -28.54 68.5 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.455 1.122 . . . . 0.0 111.105 173.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -102.66 36.39 2.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.806 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.16 -17.33 6.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.34 76.17 3.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 117.623 -1.631 . . . . 0.0 108.437 160.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mtm 152.28 151.27 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 131.472 3.909 . . . . 0.0 105.024 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.64 121.67 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 120.854 1.036 . . . . 0.0 112.482 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.8 113.4 22.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -83.93 74.63 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.122 -169.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.54 52.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 113.608 -1.633 . . . . 0.0 113.717 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.61 -35.0 79.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 119.162 -1.015 . . . . 0.0 112.399 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -22.89 66.56 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.816 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.554 ' CG1' HG22 ' S' ' 25' ' ' VAL . 2.8 m -59.67 -29.78 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.679 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -88.6 -12.71 41.86 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.892 -1.504 . . . . 0.0 112.249 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -99.9 -39.77 8.01 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.22 0.95 . . . . 0.0 110.674 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.25 -46.09 88.5 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.523 -1.672 . . . . 0.0 109.878 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -65.84 109.66 3.49 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 112.006 -2.361 . . . . 0.0 110.719 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -78.39 139.98 16.87 Favored 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-O 121.952 0.73 . . . . 0.0 111.325 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -35.95 0.63 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 113.683 -1.599 . . . . 0.0 114.897 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.24 18.23 0.16 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -150.54 30.01 0.68 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.616 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -52.1 -38.86 58.7 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.241 1.02 . . . . 0.0 112.11 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 -55.41 28.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.141 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.16 -51.15 71.26 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 111.553 -2.567 . . . . 0.0 111.158 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -64.64 -38.16 90.07 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 117.786 -1.565 . . . . 0.0 110.654 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.455 ' HB3' HH11 ' S' ' 53' ' ' ARG . 0.3 OUTLIER -59.24 -48.6 81.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.875 175.202 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.08 -49.55 68.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.651 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -70.08 -26.64 64.09 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 112.863 -1.972 . . . . 0.0 111.742 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.31 -45.62 87.15 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.565 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 70.5 mt -57.56 -52.79 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.409 1.1 . . . . 0.0 109.842 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.95 72.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.221 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.66 -15.78 47.57 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.72 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -68.89 -47.02 66.88 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 168.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.5 -39.65 84.53 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.952 -1.931 . . . . 0.0 110.755 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.17 79.79 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.213 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -49.79 -46.78 51.2 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.064 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.0 -39.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 111.586 -174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.353 0.733 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.791 -177.438 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 122.222 1.01 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.93 -45.66 82.57 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 122.764 1.269 . . . . 0.0 111.096 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.473 -2.149 . . . . 0.0 111.351 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.98 86.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 118.142 -1.423 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.3 -43.47 98.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.274 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . 0.605 HG22 ' OE1' ' S' ' 44' ' ' GLN . 95.4 t -54.63 -39.25 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.589 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.28 -42.25 75.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 112.911 -1.95 . . . . 0.0 111.076 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.569 HD23 ' N ' ' S' ' 21' ' ' ALA . 0.2 OUTLIER -51.15 -47.73 62.0 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 125.514 1.759 . . . . 0.0 109.904 175.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.569 ' N ' HD23 ' S' ' 20' ' ' LEU . . . -62.23 -45.62 92.53 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.682 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.17 76.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.296 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.88 91.41 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.928 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.86 -31.79 55.03 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.922 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' S' ' 40' ' ' VAL . 2.4 t -71.82 -25.73 24.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.121 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.92 65.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 118.321 -1.351 . . . . 0.0 111.107 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.21 -3.92 1.52 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 112.897 -1.956 . . . . 0.0 112.062 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -52.03 -27.6 14.21 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.6 -33.51 76.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.753 -1.579 . . . . 0.0 111.141 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -80.4 45.16 0.74 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.635 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.56 3.94 10.35 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.481 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -65.75 -15.71 63.09 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.814 161.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtt -121.12 171.32 6.1 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 113.095 -1.866 . . . . 0.0 106.306 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.09 125.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 1.184 . . . . 0.0 111.785 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.5 139.3 32.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 174.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.05 99.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 122.305 1.05 . . . . 0.0 109.677 -176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.85 -17.05 64.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.571 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.79 -38.65 67.17 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.744 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 -42.42 86.97 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 122.303 1.049 . . . . 0.0 110.945 -164.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' S' ' 25' ' ' VAL . 0.0 OUTLIER -55.63 -54.13 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 113.367 -1.742 . . . . 0.0 111.455 171.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.57 -33.35 71.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.507 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -82.42 -29.34 30.8 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.313 1.008 . . . . 0.0 110.383 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -76.79 -46.5 24.79 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.526 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' S' ' 18' ' ' VAL . 68.0 mm-40 -77.67 123.78 86.56 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.437 -1.71 . . . . 0.0 108.972 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -68.03 136.78 39.05 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 N-CA-C 109.813 -0.88 . . . . 0.0 109.813 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -49.24 -26.52 3.01 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 113.72 -1.582 . . . . 0.0 112.75 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -26.07 26.21 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.629 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.37 26.17 7.44 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.061 0.851 . . . . 0.0 111.702 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -48.85 -41.52 33.38 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.2 t -54.73 -45.72 74.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.63 -51.98 62.83 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.268 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -55.27 -46.24 76.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.976 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.445 ' O ' HD12 ' S' ' 57' ' ' ILE . 3.2 tpm_? -65.31 -48.52 72.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.944 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.44 -50.72 67.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 123.329 1.538 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -39.32 90.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 112.073 -2.33 . . . . 0.0 111.514 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.431 HD13 ' N ' ' S' ' 57' ' ' ILE . 0.1 OUTLIER -50.14 -46.43 53.89 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.832 0.708 . . . . 0.0 111.216 176.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.445 HD12 ' O ' ' S' ' 53' ' ' ARG . 2.7 mp -57.66 -47.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.309 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.03 71.69 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.816 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -68.35 -24.49 64.82 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 113.567 -1.651 . . . . 0.0 111.841 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.79 -43.25 84.41 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.856 -1.538 . . . . 0.0 110.879 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.56 -49.7 76.5 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.564 -1.653 . . . . 0.0 108.795 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.2 64.23 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.334 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 25.6 p -66.06 -39.18 89.89 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.203 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.56 -41.57 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 117.73 -1.588 . . . . 0.0 109.499 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.352 0.715 0 CA-C-N 114.264 -1.334 . . . . 0.0 112.59 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.048 0.451 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.45 -45.04 81.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 123.115 1.436 . . . . 0.0 110.252 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -32.88 67.73 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.861 -2.427 . . . . 0.0 111.895 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 83.6 t -77.56 -39.72 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 O-C-N 124.349 1.031 . . . . 0.0 111.36 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -53.12 -49.15 67.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 123.608 1.671 . . . . 0.0 110.984 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . 0.426 HG12 HH11 ' S' ' 55' ' ' ARG . 70.1 t -62.17 -21.14 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.44 0 CA-C-N 111.843 -2.435 . . . . 0.0 111.753 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -50.01 65.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 121.916 0.865 . . . . 0.0 108.909 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.06 -43.06 99.65 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.512 -2.131 . . . . 0.0 109.573 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.76 72.31 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.988 -1.46 . . . . 0.0 111.465 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.44 88.03 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.782 -1.553 . . . . 0.0 112.318 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -58.26 -41.23 83.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.123 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 -41.71 67.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.985 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.557 HG21 HG23 ' S' ' 40' ' ' VAL . 5.1 t -74.82 -21.31 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 118.075 -1.45 . . . . 0.0 111.811 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -22.94 66.81 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.403 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.73 -0.65 1.06 Allowed 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.173 -1.376 . . . . 0.0 112.402 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -56.33 -23.75 39.33 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.63 -30.53 70.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 117.278 -1.769 . . . . 0.0 111.515 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 5.29 36.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.902 -1.954 . . . . 0.0 112.025 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -44.52 -17.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.546 2.738 . . . . 0.0 115.712 -172.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -26.57 3.61 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.339 167.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.64 159.59 32.68 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 126.925 2.09 . . . . 0.0 107.936 170.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.13 132.53 42.14 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 122.168 1.912 . . . . 0.0 115.542 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.23 129.06 19.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mt -85.69 82.03 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.202 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.34 86.87 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.374 -1.284 . . . . 0.0 112.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.28 -32.27 47.84 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.924 0.868 . . . . 0.0 112.335 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -25.54 68.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.357 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.557 HG23 HG21 ' S' ' 25' ' ' VAL . 1.4 p -55.01 -38.26 45.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 122.271 1.034 . . . . 0.0 111.673 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -83.01 -43.54 16.24 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.252 -1.794 . . . . 0.0 109.723 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -67.23 -29.95 69.73 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.246 -1.343 . . . . 0.0 112.263 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 8.69 21.55 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.573 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -105.9 109.12 62.87 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.533 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.36 127.82 14.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 N-CA-C 108.877 -1.24 . . . . 0.0 108.877 169.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -49.39 -34.67 16.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.91 -1.495 . . . . 0.0 112.406 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . 0.445 ' HB2' HD23 ' S' ' 48' ' ' LEU . 13.6 m170 -42.05 -29.77 0.24 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 111.689 -2.505 . . . . 0.0 113.433 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.2 OUTLIER -143.28 59.99 1.4 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.059 -178.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -29.16 68.25 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 113.89 -1.504 . . . . 0.0 113.116 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -73.57 -26.22 60.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 117.232 -1.787 . . . . 0.0 111.306 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -67.11 -52.45 41.66 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.944 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . 0.41 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.7 OUTLIER -61.16 -44.85 96.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.173 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.55 ' HE ' HD23 ' S' ' 56' ' ' LEU . 0.9 OUTLIER -60.59 -53.84 52.66 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 117.846 -1.542 . . . . 0.0 110.605 -171.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.54 -49.58 74.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 113.866 -1.516 . . . . 0.0 110.988 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.426 HH11 HG12 ' S' ' 18' ' ' VAL . 6.2 ptm180 -67.08 -23.83 65.89 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 117.458 -1.697 . . . . 0.0 112.328 -174.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . 0.55 HD23 ' HE ' ' S' ' 53' ' ' ARG . 0.3 OUTLIER -60.18 -37.4 80.07 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.066 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.25 -36.85 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.216 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.18 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.048 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 7.6 m-70 -67.97 -45.17 74.95 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.447 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.55 -36.9 77.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.711 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.408 ' O ' HD22 ' S' ' 61' ' ' LEU . 0.2 OUTLIER -59.1 -44.43 91.96 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.377 175.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.87 70.39 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.786 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -51.84 -50.4 60.96 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.197 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.5 -39.16 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.52 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 C--O 1.22 -0.474 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.424 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 121.575 0.702 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.08 -47.5 65.16 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.056 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -67.44 -35.14 78.65 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.253 -1.794 . . . . 0.0 111.617 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 14.5 t -63.22 -40.29 88.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.821 176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -55.98 -44.37 78.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 118.494 -1.282 . . . . 0.0 111.192 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.61 -38.28 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.772 -1.558 . . . . 0.0 111.628 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' S' ' 22' ' ' ALA . 26.3 t0 -54.75 -53.68 51.9 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.367 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.15 -40.45 85.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.71 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.574 ' O ' HG23 ' S' ' 25' ' ' VAL . . . -54.01 -40.19 66.77 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.585 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' S' ' 19' ' ' ASP . . . -55.23 -46.28 75.99 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.011 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -57.74 -45.89 85.23 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.757 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -34.76 61.87 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 112.574 -2.103 . . . . 0.0 113.064 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.776 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -75.32 -35.41 33.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 118.373 -1.331 . . . . 0.0 110.294 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.29 66.91 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.352 1.072 . . . . 0.0 111.528 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.36 0.7 0.26 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.377 -1.738 . . . . 0.0 113.213 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -51.06 -24.38 3.84 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 163.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -32.5 73.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 116.29 -2.164 . . . . 0.0 111.61 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 -89.2 19.08 4.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.508 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . 0.588 ' HA ' HG12 ' S' ' 35' ' ' VAL . 1.0 OUTLIER -64.04 -4.64 3.63 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -19.34 63.31 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.219 167.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 164.19 15.98 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 168.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.19 112.12 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 122.424 0.697 . . . . 0.0 113.035 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' S' ' 31' ' ' TYR . 9.5 p -141.88 110.77 2.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 169.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.664 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.8 mt -93.33 111.11 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 113.612 -1.631 . . . . 0.0 108.474 -177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.26 -17.84 63.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 112.588 -2.096 . . . . 0.0 112.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -54.83 6.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.185 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.664 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -54.65 -47.73 73.17 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.588 -170.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.776 HG21 HG22 ' S' ' 25' ' ' VAL . 6.4 m -50.08 -44.86 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 113.706 -1.588 . . . . 0.0 112.077 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -73.56 -25.9 60.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.76 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -82.25 -20.9 36.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.201 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -82.89 -0.68 49.48 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.856 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' S' ' 44' ' ' GLN . 0.0 OUTLIER -87.9 133.99 36.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.84 122.02 10.76 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 119.97 0.447 . . . . 0.0 111.75 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.06 -28.6 10.73 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.848 1.309 . . . . 0.0 112.862 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -53.95 -15.99 1.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 112.307 -2.224 . . . . 0.0 114.279 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.92 42.62 1.13 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 121.667 0.746 . . . . 0.0 112.428 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -53.41 -41.35 65.91 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.337 1.065 . . . . 0.0 112.851 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 35.9 m -59.43 -33.58 71.44 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.304 -1.771 . . . . 0.0 112.399 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.49 -42.86 99.78 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -46.89 84.92 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.726 -2.034 . . . . 0.0 110.5 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -55.81 -41.85 74.8 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.618 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.17 -51.43 69.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.31 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -68.89 -26.32 65.05 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.672 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.45 -46.69 86.05 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.842 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -58.3 -44.06 87.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 117.917 -1.513 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.02 79.36 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.719 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 23.9 m-70 -71.54 -28.19 63.7 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 113.631 -1.622 . . . . 0.0 112.594 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -64.82 -44.57 89.43 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.47 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.06 -48.56 67.58 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.886 1.366 . . . . 0.0 110.483 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.76 84.08 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.408 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -62.79 -47.03 85.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.414 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.35 -29.42 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 117.279 -1.768 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 . . . . . 0 C--N 1.35 0.606 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.154 175.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mtt . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.527 0.679 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.24 -38.55 71.24 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.062 1.411 . . . . 0.0 111.328 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' CZ2' ' S' ' 51' ' ' TRP . 14.4 mtpp -71.17 -28.2 64.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.947 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.41 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -36.31 80.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 118.0 -1.48 . . . . 0.0 110.953 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.45 -40.26 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -41.8 93.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.442 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . 0.425 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.38 -51.18 63.35 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.238 0.961 . . . . 0.0 110.776 176.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . 0.425 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.7 -45.78 88.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.29 79.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.107 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -59.51 -41.89 90.95 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.97 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.77 -32.28 54.69 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-N 112.438 -2.165 . . . . 0.0 113.262 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.823 HG22 HG21 ' S' ' 40' ' ' VAL . 2.7 t -72.55 -39.88 62.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-O 122.068 0.937 . . . . 0.0 110.219 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.29 75.19 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.122 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.72 33.06 0.25 Allowed 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.949 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.8 -8.03 32.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.368 0.604 . . . . 0.0 111.598 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.75 -17.62 24.61 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.365 1.079 . . . . 0.0 111.71 168.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -64.09 15.61 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.404 163.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -62.54 -16.76 57.67 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 120.52 1.509 . . . . 0.0 111.704 172.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -64.22 -11.0 26.9 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 113.74 -1.573 . . . . 0.0 112.443 169.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ptm -137.48 -167.42 0.15 Allowed Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 127.319 2.248 . . . . 0.0 105.069 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -86.01 126.36 2.84 Favored 'Trans proline' 0 C--N 1.363 1.313 0 C-N-CA 120.596 0.864 . . . . 0.0 113.327 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.27 141.44 28.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 169.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.449 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.0 mt -136.51 111.49 10.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 124.741 1.275 . . . . 0.0 108.977 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.01 70.56 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.941 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -66.82 -46.97 73.47 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.368 173.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.449 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -63.78 -48.1 78.25 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.972 -166.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.823 HG21 HG22 ' S' ' 25' ' ' VAL . 15.7 m -54.68 -49.92 64.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-N 113.095 -1.866 . . . . 0.0 111.968 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -60.68 -34.72 74.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.59 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -27.83 30.64 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.598 -176.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -72.18 -36.68 69.32 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.723 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 137.15 96.38 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.059 173.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.92 115.4 4.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 120.706 0.937 . . . . 0.0 111.367 172.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -48.48 -27.7 2.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.473 -1.239 . . . . 0.0 113.399 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . 0.433 ' HB2' HD23 ' S' ' 48' ' ' LEU . 34.6 m80 -45.02 -34.67 2.58 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.077 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.1 OUTLIER -124.27 45.98 2.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.394 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -37.14 64.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.726 177.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -59.87 -34.25 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.09 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . 0.422 ' CZ2' ' HB3' ' S' ' 15' ' ' LYS . 74.8 t-105 -64.38 -45.21 88.69 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.632 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -45.03 94.68 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.965 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -50.23 74.4 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.416 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -61.09 -44.18 97.75 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.863 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' CZ2' ' S' ' 51' ' ' TRP . 0.0 OUTLIER -69.1 -30.67 69.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.38 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.21 -46.96 75.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.691 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.81 -44.82 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.512 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.71 81.13 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.95 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 60.6 m-70 -75.55 -29.74 59.48 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.274 -177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' S' ' 60' ' ' ARG . 0.2 OUTLIER -61.78 -50.29 72.94 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.934 173.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.59 -51.47 55.25 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.598 -1.637 . . . . 0.0 110.575 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.67 69.97 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.092 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -68.45 -49.33 60.63 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.398 -177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -36.21 60.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 . . . . . 0 CA--C 1.539 0.552 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.82 -171.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 48.8 mmm . . . . . 0 CA--C 1.54 0.571 0 CA-C-O 121.396 0.617 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' S' S ' 14' ' ' ASP . . . . . 0.505 ' O ' HG23 ' S' ' 18' ' ' VAL . 9.0 t70 -54.05 -42.9 69.75 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.606 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -52.25 -42.24 63.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.456 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 16' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' S' ' 19' ' ' ASP . 16.8 t -66.05 -45.15 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.17 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -50.03 -48.78 52.55 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 122.21 1.005 . . . . 0.0 111.559 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 18' ' ' VAL . . . . . 0.505 HG23 ' O ' ' S' ' 14' ' ' ASP . 3.8 t -63.37 -30.4 49.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.133 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 19' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' S' ' 16' ' ' VAL . 45.1 t0 -55.23 -51.68 65.82 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.175 173.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.14 -50.73 72.5 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.259 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.9 67.98 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.099 -1.409 . . . . 0.0 111.774 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' S' ' 59' ' ' HIS . . . -63.04 -32.48 73.85 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.397 -1.728 . . . . 0.0 111.285 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.05 65.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.636 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -25.19 54.86 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.92 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 25' ' ' VAL . . . . . 0.788 HG22 HG21 ' S' ' 40' ' ' VAL . 3.3 t -73.05 -30.38 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.083 0.944 . . . . 0.0 110.54 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.09 -19.68 64.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.141 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -62.77 -6.96 4.13 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.768 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' S' ' 29' ' ' GLU . 22.3 ttpp -50.87 -34.32 27.63 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.075 0.464 . . . . 0.0 112.19 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 29' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -68.26 -32.19 72.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 116.958 -1.897 . . . . 0.0 111.148 177.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -88.42 18.28 4.63 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.897 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 31' ' ' TYR . . . . . 0.486 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.0 t80 -67.06 10.64 0.14 Allowed 'General case' 0 CA--C 1.558 1.254 0 CA-C-O 122.19 0.995 . . . . 0.0 113.383 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.02 -19.48 65.22 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.116 163.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 5.3 mmm -113.02 172.56 3.44 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 113.859 -1.519 . . . . 0.0 107.727 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -55.34 127.96 28.46 Favored 'Trans proline' 0 C--N 1.364 1.36 0 C-N-CA 121.691 1.594 . . . . 0.0 115.086 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 35' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.5 OUTLIER -137.98 148.32 25.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.145 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 36' ' ' ILE . . . . . 0.492 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.1 mt -133.23 85.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-O 122.786 1.279 . . . . 0.0 109.508 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.57 -19.43 62.16 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 112.447 -2.161 . . . . 0.0 113.229 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.69 -47.75 21.05 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.47 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 39' ' ' ALA . . . . . 0.492 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.245 -164.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 40' ' ' VAL . . . . . 0.788 HG21 HG22 ' S' ' 25' ' ' VAL . 20.5 m -51.1 -39.59 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-N 112.966 -1.925 . . . . 0.0 113.082 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -77.55 -15.96 58.94 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.34 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -28.02 14.55 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 174.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -74.87 -28.16 60.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.057 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 137.58 89.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.139 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.04 117.57 5.18 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 120.99 1.127 . . . . 0.0 110.941 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -58.51 -25.42 62.38 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.784 -173.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 47' ' ' HIS . . . . . 0.564 ' HB2' HD23 ' S' ' 48' ' ' LEU . 9.7 m80 -50.94 -20.25 1.28 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 112.704 -2.043 . . . . 0.0 113.522 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 48' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.3 OUTLIER -146.72 58.23 1.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.361 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -40.23 60.43 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.146 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -54.66 -44.12 73.0 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.988 -1.914 . . . . 0.0 111.147 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 51' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' S' ' 48' ' ' LEU . 73.8 t-105 -58.81 -44.07 90.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.063 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.85 -47.01 81.36 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.503 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 53' ' ' ARG . . . . . 0.414 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -64.24 -50.96 65.94 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 112.948 -1.933 . . . . 0.0 111.415 -175.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.45 -49.03 77.56 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.461 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.542 HH21 ' CD2' ' S' ' 59' ' ' HIS . 6.6 mmm180 -58.88 -35.5 73.09 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -45.18 64.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.066 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 57' ' ' ILE . . . . . 0.414 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.3 mp -60.82 -45.27 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.748 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.2 75.58 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.298 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 59' ' ' HIS . . . . . 0.542 ' CD2' HH21 ' S' ' 55' ' ' ARG . 28.7 m170 -74.73 -30.41 61.49 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.936 -1.938 . . . . 0.0 111.238 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 60' ' ' ARG . . . . . 0.41 ' O ' HG22 ' S' ' 64' ' ' VAL . 22.4 mmm-85 -60.38 -49.3 78.15 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.885 1.365 . . . . 0.0 109.015 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -51.24 66.76 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.552 176.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.31 74.28 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.402 -1.272 . . . . 0.0 112.004 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -57.69 -59.26 5.47 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.811 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 64' ' ' VAL . . . . . 0.41 HG22 ' O ' ' S' ' 60' ' ' ARG . 0.0 OUTLIER -64.99 -29.01 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.283 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 CA--C 1.547 0.838 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.361 -178.643 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -109.17 -53.2 2.68 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.222 0.951 . . . . 0.0 110.865 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -40.89 36.0 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.461 -1.699 . . . . 0.0 113.761 -165.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . 0.259 5.6 p30 60.55 -0.62 0.26 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 116.241 1.941 . . . . 0.0 116.241 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.569 HD23 HD21 ' S' ' 8' ' ' LEU . 89.0 mt -55.38 -33.16 63.21 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 121.945 0.878 . . . . 0.0 112.341 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.51 63.76 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 114.101 -1.409 . . . . 0.0 113.149 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -78.84 -57.2 3.87 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.962 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.569 HD21 HD23 ' S' ' 5' ' ' LEU . 4.6 pp -65.1 -30.01 70.93 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.98 -1.918 . . . . 0.0 111.537 -175.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 5.93 116.69 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 126.593 2.433 . . . . 0.0 113.928 178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -48.18 -34.24 9.71 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.479 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.29 -43.21 78.21 Favored 'General case' 0 CA--C 1.557 1.242 0 CA-C-N 114.365 -1.289 . . . . 0.0 112.348 176.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.33 -53.24 59.63 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.721 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 15.9 mmt -71.98 -27.48 62.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 117.579 -1.649 . . . . 0.0 111.78 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . 0.5 ' O ' HG23 ' S' ' 18' ' ' VAL . 13.7 t70 -54.92 -48.16 73.47 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 118.806 -1.158 . . . . 0.0 110.106 174.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -56.34 -43.76 79.38 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.919 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -30.78 44.47 Favored 'Isoleucine or valine' 0 C--N 1.359 0.999 0 O-C-N 125.143 1.527 . . . . 0.0 111.726 -177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -71.44 -37.14 71.45 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 122.685 1.231 . . . . 0.0 110.643 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . 0.5 HG23 ' O ' ' S' ' 14' ' ' ASP . 67.2 t -58.24 -38.3 67.8 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 CA-C-N 113.468 -1.696 . . . . 0.0 112.022 -177.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . 0.419 ' OD1' ' HD2' ' S' ' 55' ' ' ARG . 0.0 OUTLIER -64.28 -39.83 94.74 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.687 -177.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mp -58.76 -44.64 90.66 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.297 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.79 87.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.541 174.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' S' ' 56' ' ' LEU . . . -56.53 -42.1 77.88 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.711 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -60.98 -40.71 94.51 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.102 177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.1 -38.7 56.51 Favored Glycine 0 CA--C 1.537 1.441 0 CA-C-N 113.141 -1.845 . . . . 0.0 112.326 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.784 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -67.34 -26.71 36.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 118.629 -1.229 . . . . 0.0 111.733 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -69.6 -16.34 63.38 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 114.607 -1.178 . . . . 0.0 111.401 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -66.97 -4.9 10.76 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 114.034 -1.439 . . . . 0.0 111.409 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.25 -25.31 47.34 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 171.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.84 -35.97 82.37 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 116.105 -2.238 . . . . 0.0 110.434 172.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.58 32.67 0.71 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 112.713 -2.04 . . . . 0.0 109.99 176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -66.2 -3.24 5.31 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.425 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -58.71 -20.09 45.79 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 117.93 -1.508 . . . . 0.0 111.18 165.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.3 mmm -114.99 169.04 7.15 Favored Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -76.45 126.53 9.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.109 1.206 . . . . 0.0 113.451 -168.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.68 124.09 11.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 176.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.474 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.1 mt -110.97 99.95 9.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.097 0.873 . . . . 0.0 109.697 -177.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 -32.25 64.18 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.624 -1.626 . . . . 0.0 112.689 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -44.57 93.91 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.936 177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.474 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -66.6 -57.33 7.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.113 -168.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.784 HG21 HG22 ' S' ' 25' ' ' VAL . 6.3 m -49.29 -47.59 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 113.261 -1.791 . . . . 0.0 112.227 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -57.91 -44.37 86.77 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.059 -1.056 . . . . 0.0 111.41 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -78.28 -21.5 49.66 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.275 -1.33 . . . . 0.0 111.879 -174.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -70.44 -34.79 72.86 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.309 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . 0.402 HE22 ' C ' ' S' ' 48' ' ' LEU . 5.0 tm0? -71.48 128.48 89.9 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.823 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -61.13 118.67 5.56 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 113.911 0.696 . . . . 0.0 113.911 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -44.57 -31.68 1.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 114.024 -1.444 . . . . 0.0 114.115 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -47.46 -48.21 26.87 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.14 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 18' ' ' VAL . 0.3 OUTLIER -104.3 29.1 6.28 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.353 -1.749 . . . . 0.0 110.355 -178.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -49.18 -38.24 25.14 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 122.183 0.992 . . . . 0.0 113.27 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.3 t -52.44 -43.63 65.01 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.457 -1.702 . . . . 0.0 112.047 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -54.7 -42.66 71.72 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.066 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -62.2 -43.74 98.16 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 118.769 -1.172 . . . . 0.0 110.099 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.446 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -61.0 -53.06 61.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.326 -177.029 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -59.3 -48.52 81.31 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.688 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.419 ' HD2' ' OD1' ' S' ' 19' ' ' ASP . 0.1 OUTLIER -61.3 -31.21 71.04 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.297 -1.774 . . . . 0.0 111.812 176.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' S' ' 22' ' ' ALA . 0.3 OUTLIER -57.25 -45.39 84.02 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.539 -179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.1 mp -58.1 -43.11 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 118.935 -1.106 . . . . 0.0 110.722 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -44.89 92.25 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.318 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 78.5 m-70 -71.79 -26.14 62.3 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 113.845 -1.525 . . . . 0.0 112.237 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -63.27 -47.27 83.05 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 124.464 1.102 . . . . 0.0 108.746 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.409 ' C ' HD12 ' S' ' 61' ' ' LEU . 0.2 OUTLIER -54.55 -47.67 72.93 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 125.053 1.471 . . . . 0.0 110.409 176.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.69 66.35 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.576 -1.647 . . . . 0.0 112.598 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.674 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 53.7 p -77.96 -45.98 22.4 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 118.232 -1.387 . . . . 0.0 110.445 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -71.17 -29.49 36.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.869 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -31.28 71.16 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 118.515 -1.274 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.21 -55.04 0.66 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.716 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -32.85 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.353 0.746 0 C-N-CA 126.313 1.845 . . . . 0.0 112.503 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 64.73 -9.06 0.19 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' S' ' 69' ' ' LEU . 11.3 mt 53.09 94.33 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 125.23 1.412 . . . . 0.0 111.455 -164.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -79.12 -136.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.369 1.626 0 N-CA-C 109.295 -1.079 . . . . 0.0 109.295 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -69.1 -84.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 59.58 161.19 0.1 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 CA-C-N 113.648 -1.615 . . . . 0.0 110.965 -168.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.33 -113.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.255 0 N-CA-C 108.358 -1.439 . . . . 0.0 108.358 171.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 67.01 93.74 0.07 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-O 122.451 1.119 . . . . 0.0 110.89 177.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 tt -149.0 147.73 28.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 105.834 -1.913 . . . . 0.0 105.834 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.347 0.462 0 O-C-N 126.041 2.088 . . . . 0.0 109.888 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.223 -0.341 0 N-CA-C 103.444 -2.798 . . . . 0.0 103.444 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.24 -73.19 0.15 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 125.673 1.858 . . . . 0.0 109.601 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -179.34 7.41 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 112.095 -2.32 . . . . 0.0 107.908 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -168.69 -179.85 3.96 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tp 69.31 25.57 5.56 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.914 162.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . 53.31 32.5 13.74 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.597 -1.638 . . . . 0.0 112.23 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 29.4 tptt 59.03 28.19 17.37 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 121.887 0.851 . . . . 0.0 111.912 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 66.5 19.94 10.88 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.901 -1.5 . . . . 0.0 111.543 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.21 100.39 0.33 Allowed 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 176.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -46.69 -46.26 19.97 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 113.555 -1.657 . . . . 0.0 111.548 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -52.3 -46.94 66.13 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 112.657 -2.065 . . . . 0.0 112.521 173.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.05 -28.97 64.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.186 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 80.5 mtp -58.13 -37.26 74.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 118.794 -1.163 . . . . 0.0 111.126 177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . 0.668 ' O ' HG23 ' S' ' 18' ' ' VAL . 28.0 t70 -49.18 -41.25 36.07 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.712 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.52 -44.62 93.11 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 113.301 -1.772 . . . . 0.0 110.701 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.96 -37.75 81.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 C-N-CA 118.374 -1.331 . . . . 0.0 110.362 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -58.87 -41.51 87.22 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.576 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . 0.762 HG21 HD22 ' S' ' 48' ' ' LEU . 39.7 t -62.3 -31.95 53.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.135 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -61.49 -45.33 94.68 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.109 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.45 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -56.11 -52.49 64.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 113.272 -1.785 . . . . 0.0 110.246 175.256 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.45 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -59.02 -53.81 54.24 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.43 -1.259 . . . . 0.0 111.738 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.98 80.61 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.39 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.01 79.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.928 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.37 -28.71 55.72 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 113.912 -1.494 . . . . 0.0 112.695 172.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.516 HG21 HG11 ' S' ' 40' ' ' VAL . 7.6 t -67.58 -33.22 60.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 119.215 -0.994 . . . . 0.0 110.677 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.7 -22.17 66.6 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.239 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . 0.513 ' HB3' HG21 ' S' ' 35' ' ' VAL . 15.1 t80 -61.95 -6.84 3.12 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.868 172.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -50.2 -24.86 3.1 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 170.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -36.67 68.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 117.304 -1.759 . . . . 0.0 110.58 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 52.9 mtt-85 -87.64 26.6 1.26 Allowed 'General case' 0 CA--C 1.554 1.11 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.079 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . 0.456 ' HA ' HG12 ' S' ' 35' ' ' VAL . 39.0 t80 -64.41 -2.04 2.05 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.827 0.822 . . . . 0.0 113.148 177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -53.84 -25.74 21.09 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.161 166.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.5 mmm -111.21 166.08 11.49 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.152 172.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -71.94 112.1 3.32 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 120.302 0.668 . . . . 0.0 112.654 -167.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' S' ' 27' ' ' PHE . 14.9 p -139.86 119.16 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 113.901 -1.499 . . . . 0.0 108.446 171.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.49 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.4 mt -101.73 100.79 11.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.039 -1.891 . . . . 0.0 108.53 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . 0.473 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -62.27 -48.51 79.57 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.011 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -51.64 -37.91 52.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.917 -175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.49 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -58.19 -30.38 66.4 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.393 -1.731 . . . . 0.0 111.429 -178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.516 HG11 HG21 ' S' ' 25' ' ' VAL . 0.9 OUTLIER -58.47 -43.83 87.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-O 122.3 1.048 . . . . 0.0 111.374 179.112 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -68.79 -33.66 74.24 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.385 -173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -71.29 -34.29 70.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.953 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -74.57 -29.57 61.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.627 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . 0.652 ' NE2' HG22 ' S' ' 18' ' ' VAL . 2.2 mm100 -117.39 92.56 40.67 Favored Pre-proline 0 CA--C 1.554 1.107 0 O-C-N 124.104 0.878 . . . . 0.0 110.333 -173.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -53.57 152.04 22.61 Favored 'Trans proline' 0 C--N 1.37 1.688 0 C-N-CA 122.306 2.004 . . . . 0.0 116.207 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -48.51 -23.75 1.07 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.537 -1.665 . . . . 0.0 114.475 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -23.08 13.85 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . 0.762 HD22 HG21 ' S' ' 18' ' ' VAL . 3.2 pp -116.05 25.17 10.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.884 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . 0.613 ' HD3' HH12 ' S' ' 53' ' ' ARG . 0.0 OUTLIER -55.37 -31.0 61.41 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -170.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.4 p -66.16 -48.77 69.68 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.615 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -57.22 -51.44 69.33 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 113.554 -1.657 . . . . 0.0 110.373 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -57.45 -41.32 80.27 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.294 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.613 HH12 ' HD3' ' S' ' 49' ' ' ARG . 0.0 OUTLIER -56.28 -59.07 5.47 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.976 178.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.89 -41.92 78.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.763 -173.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -38.52 90.02 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 113.026 -1.897 . . . . 0.0 111.764 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.422 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.2 OUTLIER -49.69 -42.16 45.02 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 120.134 -0.626 . . . . 0.0 111.954 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.7 -35.06 63.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.118 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.67 71.47 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 123.161 1.457 . . . . 0.0 110.456 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -74.57 -36.86 63.05 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.124 -170.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -59.72 -43.54 94.13 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.133 -1.427 . . . . 0.0 110.335 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.92 -49.99 71.93 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.263 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.65 76.63 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.853 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 23.2 t -60.61 -48.75 80.39 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.633 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -36.26 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.858 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -27.56 65.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 118.032 -1.467 . . . . 0.0 111.47 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 32.1 mt 76.26 -51.31 0.6 Allowed 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.759 1.623 . . . . 0.0 110.876 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -164.08 -49.41 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.922 167.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? 51.44 79.29 0.1 Allowed 'General case' 0 C--N 1.356 0.863 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.962 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.427 ' N ' HD23 ' S' ' 69' ' ' LEU . 0.2 OUTLIER -74.91 -54.86 2.56 Favored Pre-proline 0 CA--C 1.551 0.997 0 CA-C-N 112.437 -2.165 . . . . 0.0 111.346 177.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.09 170.18 12.41 Favored 'Trans proline' 0 C--N 1.369 1.631 0 N-CA-C 109.258 -1.093 . . . . 0.0 109.258 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -153.62 -38.05 0.1 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.48 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 70.57 111.87 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.128 0 O-C-N 125.358 1.661 . . . . 0.0 108.975 -173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -55.35 -14.33 9.13 Favored 'Trans proline' 0 C--N 1.368 1.555 0 N-CA-C 118.441 2.439 . . . . 0.0 118.441 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.88 92.89 2.86 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 tp -156.82 119.76 4.08 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt . . . . . 0 CA--C 1.537 0.479 0 O-C-N 125.637 1.836 . . . . 0.0 107.41 176.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 80.1 mmm . . . . . 0 C--O 1.22 -0.494 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 49.7 mt 74.23 -59.96 0.54 Allowed 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.927 1.392 . . . . 0.0 112.398 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.32 164.88 28.65 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 174.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -137.92 28.25 2.63 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.346 1.029 . . . . 0.0 111.037 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -42.72 63.49 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 123.238 1.494 . . . . 0.0 110.688 174.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.43 -0.2 0.83 Allowed 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 111.97 -2.377 . . . . 0.0 114.168 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -80.63 -31.01 36.64 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.841 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -141.55 100.12 3.7 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 119.309 -0.956 . . . . 0.0 110.845 -170.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.9 136.9 0.12 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 114.383 -1.281 . . . . 0.0 108.132 169.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -52.95 -35.68 59.02 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.128 -176.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -35.94 33.84 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.581 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -61.05 -49.73 76.18 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.76 -1.564 . . . . 0.0 109.281 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 13.1 mmt -61.82 -38.73 89.25 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 112.104 -2.316 . . . . 0.0 110.338 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -55.79 -44.51 77.83 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.023 174.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -60.87 -39.38 88.98 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.185 -1.37 . . . . 0.0 111.288 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 58.2 t -67.47 -32.78 58.66 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 114.825 -1.08 . . . . 0.0 111.323 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -62.2 -46.21 89.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 122.084 0.945 . . . . 0.0 109.155 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.44 -39.04 73.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.522 -1.672 . . . . 0.0 111.372 173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.71 -27.27 64.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.414 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.59 -58.37 2.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 126.554 2.409 . . . . 0.0 110.658 175.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.5 -43.25 75.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.839 1.304 . . . . 0.0 111.846 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -14.03 46.01 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 112.755 -2.021 . . . . 0.0 112.573 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.37 -37.06 23.81 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 121.766 0.793 . . . . 0.0 110.123 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.16 -32.82 57.27 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.896 -1.502 . . . . 0.0 111.966 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.98 HG22 HG21 ' S' ' 40' ' ' VAL . 2.9 t -56.71 -41.27 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 113.405 -1.397 . . . . 0.0 111.734 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.87 59.89 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 113.934 -1.485 . . . . 0.0 110.408 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -62.42 0.93 0.4 Allowed 'General case' 0 CA--C 1.556 1.196 0 CA-C-N 113.822 -1.535 . . . . 0.0 112.834 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -45.28 -32.7 2.08 Favored 'General case' 0 C--N 1.356 0.863 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.73 -9.96 41.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 116.832 -1.947 . . . . 0.0 112.025 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.26 28.7 8.54 Favored 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 125.595 1.558 . . . . 0.0 109.138 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -70.63 5.04 2.04 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 122.271 1.034 . . . . 0.0 113.021 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -61.93 -16.8 53.75 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.801 160.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.92 148.73 39.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 169.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -63.11 116.97 3.91 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 120.788 0.992 . . . . 0.0 113.139 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.82 97.97 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 122.915 1.34 . . . . 0.0 108.901 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.51 91.71 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.653 -1.612 . . . . 0.0 109.676 -173.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.51 -18.21 17.72 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 113.528 -1.669 . . . . 0.0 114.045 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -46.34 56.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.084 0.945 . . . . 0.0 110.517 173.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.01 90.45 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.01 -161.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.98 HG21 HG22 ' S' ' 25' ' ' VAL . 13.2 m -47.06 -39.54 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.547 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.88 -11.56 58.1 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.383 -173.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -86.14 -45.35 11.44 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.207 170.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.88 -46.65 80.9 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.125 -1.852 . . . . 0.0 111.861 -175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.27 135.36 91.23 Favored Pre-proline 0 CA--C 1.553 1.06 0 CA-C-N 114.119 -1.401 . . . . 0.0 110.217 -170.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.75 124.78 16.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 120.95 1.1 . . . . 0.0 114.403 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -56.73 -29.37 62.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.64 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -70.51 11.05 0.39 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 pp -149.55 34.01 0.7 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.309 171.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.81 -46.72 10.79 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.239 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -49.6 -42.38 44.47 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 114.265 -1.334 . . . . 0.0 113.195 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 69.2 t-105 -65.22 -41.4 94.45 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.105 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.87 -43.79 97.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 113.514 -1.675 . . . . 0.0 110.432 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -62.75 -45.53 92.29 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.635 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -53.73 -50.55 65.71 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.244 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -66.53 -31.08 71.58 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 112.216 -2.265 . . . . 0.0 112.008 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -46.46 87.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.226 177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 9.3 mt -59.47 -52.46 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.902 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.35 -34.06 63.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.065 -1.88 . . . . 0.0 111.832 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -74.98 -22.54 58.49 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 113.484 -1.689 . . . . 0.0 112.413 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -66.76 -48.01 70.45 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 117.055 -1.858 . . . . 0.0 109.129 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.77 -45.0 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 112.861 -1.972 . . . . 0.0 111.712 174.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.33 98.98 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.601 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 85.9 p -65.12 -38.84 91.93 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.52 -171.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 24.1 m -64.87 -49.05 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 118.04 -1.464 . . . . 0.0 110.502 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -71.84 -27.27 62.78 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 117.615 -1.634 . . . . 0.0 112.183 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 tt -56.5 -20.95 22.76 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.702 176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 97.0 p -55.6 -22.25 21.36 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 124.34 1.025 . . . . 0.0 113.463 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 51.57 77.96 0.13 Allowed 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 122.795 1.283 . . . . 0.0 112.465 169.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 89.4 mt -49.87 131.95 21.66 Favored Pre-proline 0 CA--C 1.558 1.283 0 CA-C-N 112.851 -1.977 . . . . 0.0 112.753 -170.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.95 131.48 15.67 Favored 'Trans proline' 0 C--N 1.364 1.386 0 C-N-CA 121.956 1.771 . . . . 0.0 112.199 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -32.12 -66.15 0.13 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 125.283 1.614 . . . . 0.0 113.893 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 41.46 79.51 0.32 Allowed Pre-proline 0 CA--C 1.558 1.279 0 CA-C-N 114.686 -1.143 . . . . 0.0 113.889 169.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.62 135.62 42.8 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 121.438 1.425 . . . . 0.0 112.569 -171.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.5 174.74 5.81 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 19.1 tp 142.18 -107.96 0.0 OUTLIER 'General case' 0 C--N 1.352 0.692 0 C-N-CA 128.535 2.734 . . . . 0.0 106.649 169.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 174.123 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptp . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 104.433 -2.432 . . . . 0.0 104.433 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 50.68 -116.99 1.01 Allowed 'General case' 0 CA--C 1.55 0.956 0 O-C-N 126.008 2.067 . . . . 0.0 110.528 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -129.86 117.21 19.82 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 167.24 148.65 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 103.581 -2.748 . . . . 0.0 103.581 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.0 mt 75.07 -56.3 0.63 Allowed 'General case' 0 CA--C 1.549 0.921 0 O-C-N 125.154 1.534 . . . . 0.0 111.699 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.22 -47.57 46.18 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 122.1 0.952 . . . . 0.0 112.735 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.14 -17.93 63.89 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 113.657 -1.61 . . . . 0.0 112.942 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.0 91.9 0.74 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.468 -167.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -139.2 -92.83 0.18 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 113.211 -1.813 . . . . 0.0 107.732 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.24 -49.22 12.57 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 122.812 1.292 . . . . 0.0 111.751 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 18.0 m -63.45 -35.58 80.89 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.359 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.68 -33.26 64.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.921 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.5 mmm -56.2 -56.19 24.01 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 114.255 -1.339 . . . . 0.0 109.499 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -51.28 -44.23 61.79 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.651 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -54.95 -49.61 70.93 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.574 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 m -67.89 -36.52 75.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 C-N-CA 119.106 -1.038 . . . . 0.0 111.645 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.27 -48.66 78.3 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.355 1.074 . . . . 0.0 111.047 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.82 -32.97 60.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.298 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -59.37 -45.15 92.22 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.362 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.472 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.41 -52.71 58.48 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.939 -1.482 . . . . 0.0 110.018 172.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.472 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.62 -54.34 48.16 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 113.097 -1.865 . . . . 0.0 112.001 -172.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.28 -43.92 88.24 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.411 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.86 -33.62 76.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.746 -1.182 . . . . 0.0 111.379 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.58 -35.86 63.1 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.901 170.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.543 HG22 HG12 ' S' ' 40' ' ' VAL . 12.2 t -70.63 -25.62 26.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 118.651 -1.219 . . . . 0.0 111.616 177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' S' ' 63' ' ' SER . . . -67.66 -19.74 65.23 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 122.197 0.999 . . . . 0.0 111.34 176.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -64.63 -4.67 4.4 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 113.613 -1.63 . . . . 0.0 112.007 171.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -58.84 -24.54 62.2 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -68.9 -33.91 74.55 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 117.193 -1.803 . . . . 0.0 110.51 172.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -86.81 19.41 2.98 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.495 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . 0.485 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.4 t80 -68.19 6.35 0.77 Allowed 'General case' 0 CA--C 1.554 1.128 0 CA-C-O 122.401 1.096 . . . . 0.0 112.87 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.06 -27.66 61.89 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 118.062 -1.455 . . . . 0.0 110.607 160.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtm -112.7 177.09 1.26 Allowed Pre-proline 0 CA--C 1.55 0.966 0 CA-C-N 113.746 -1.57 . . . . 0.0 107.218 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -55.8 125.78 20.24 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 121.216 1.277 . . . . 0.0 115.058 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.3 OUTLIER -136.87 136.42 47.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 166.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.45 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.8 mt -95.62 90.78 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 118.752 -1.179 . . . . 0.0 109.216 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.62 -19.94 64.28 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 113.659 -1.609 . . . . 0.0 113.056 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -35.0 65.44 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.834 0.825 . . . . 0.0 110.696 173.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.45 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -61.36 -35.37 77.26 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.137 -1.392 . . . . 0.0 110.039 -170.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.543 HG12 HG22 ' S' ' 25' ' ' VAL . 1.1 m -40.84 -50.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 O-C-N 124.967 1.417 . . . . 0.0 112.114 178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.38 -37.37 66.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 113.656 -1.611 . . . . 0.0 110.744 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -78.72 -21.3 48.28 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.684 -1.143 . . . . 0.0 112.025 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . 0.435 ' HB3' ' HB1' ' S' ' 21' ' ' ALA . 52.2 mt-10 -78.82 -25.17 44.16 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.551 -177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . 0.405 ' HB3' ' CD2' ' S' ' 52' ' ' PHE . 6.7 pt20 -101.59 91.04 2.02 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.241 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.85 146.87 84.4 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 N-CA-C 108.002 -1.576 . . . . 0.0 108.002 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -49.44 -27.35 4.1 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 113.413 -1.721 . . . . 0.0 111.912 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -13.23 22.38 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.38 -1.736 . . . . 0.0 112.77 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . 0.48 ' O ' HD12 ' S' ' 48' ' ' LEU . 4.6 pp -151.15 23.94 0.73 Allowed 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.734 0.647 . . . . 0.0 112.158 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -52.6 -36.48 56.31 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 122.231 1.015 . . . . 0.0 112.852 -168.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.6 p -58.68 -47.44 84.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.089 -1.868 . . . . 0.0 111.798 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -57.92 -52.39 65.68 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.374 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' S' ' 44' ' ' GLN . 22.8 t80 -55.3 -52.35 63.74 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.906 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.423 ' O ' HD12 ' S' ' 57' ' ' ILE . 4.5 tmt_? -57.55 -50.14 74.06 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.426 -1.715 . . . . 0.0 110.502 -171.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -45.26 81.6 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 122.774 1.273 . . . . 0.0 109.751 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.437 ' CG ' HH11 ' S' ' 55' ' ' ARG . 0.0 OUTLIER -61.03 -33.35 73.15 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 113.023 -1.899 . . . . 0.0 111.591 -178.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.515 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.01 -43.96 66.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 124.115 0.885 . . . . 0.0 110.802 179.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.423 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.4 mp -62.57 -51.36 73.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.419 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.98 -33.76 65.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.652 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -79.16 -27.68 42.73 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.488 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -63.78 -45.41 89.85 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 118.349 -1.34 . . . . 0.0 109.541 170.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.24 -33.67 76.27 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.491 -1.686 . . . . 0.0 110.625 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.07 87.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.255 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.575 ' HB3' ' HB1' ' S' ' 26' ' ' ALA . 99.1 p -77.2 -19.06 57.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.768 -169.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.4 p -84.86 -46.43 17.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 O-C-N 125.998 2.061 . . . . 0.0 109.883 166.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -7.19 51.58 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 118.684 -1.206 . . . . 0.0 112.66 -173.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.455 HD23 ' H ' ' S' ' 67' ' ' SER . 2.2 pt? -36.83 -45.85 0.58 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -168.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . 0.455 ' H ' HD23 ' S' ' 66' ' ' LEU . 32.8 t -83.7 48.02 1.37 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.582 -1.645 . . . . 0.0 110.298 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -46.58 31.82 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 124.487 1.117 . . . . 0.0 110.195 -166.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 9.0 mt -53.34 110.41 2.01 Favored Pre-proline 0 CA--C 1.542 0.668 0 CA-C-N 112.112 -2.313 . . . . 0.0 108.153 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -67.95 -150.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.504 0 O-C-N 123.376 1.198 . . . . 0.0 112.674 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -139.36 -97.9 0.16 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 113.065 -1.88 . . . . 0.0 106.081 173.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . 0.521 ' OE1' ' NZ ' ' S' ' 74' ' ' LYS . 79.8 mt-10 63.8 115.03 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 O-C-N 124.977 1.423 . . . . 0.0 110.034 -170.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . 0.413 ' HB2' HD22 ' S' ' 75' ' ' LEU . 74.4 Cg_exo -51.97 -26.64 25.66 Favored 'Trans proline' 0 C--N 1.364 1.344 0 N-CA-C 118.894 2.613 . . . . 0.0 118.894 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . 0.521 ' NZ ' ' OE1' ' S' ' 72' ' ' GLU . 17.1 mmtm 48.28 66.85 0.95 Allowed 'General case' 0 CA--C 1.551 0.989 0 O-C-N 124.404 1.065 . . . . 0.0 113.272 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.413 HD22 ' HB2' ' S' ' 73' ' ' PRO . 0.6 OUTLIER -162.5 175.69 11.22 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 -176.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 1.019 0 O-C-N 126.885 2.615 . . . . 0.0 112.236 169.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtm . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.13 25.34 10.78 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 126.122 2.139 . . . . 0.0 111.889 171.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.76 131.07 0.07 Allowed 'General case' 0 C--N 1.345 0.372 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -176.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -179.55 153.35 0.56 Allowed 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 102.952 -2.981 . . . . 0.0 102.952 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tp 76.89 -59.82 0.48 Allowed 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.492 1.12 . . . . 0.0 112.065 174.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.67 -56.48 9.96 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.778 0.799 . . . . 0.0 112.435 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 -24.44 23.92 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.58 -1.646 . . . . 0.0 112.141 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 49.3 mt -77.88 -19.53 54.61 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.903 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.84 106.3 12.38 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.817 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -48.74 -36.47 16.48 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.146 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -58.18 -37.6 75.06 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.472 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -68.74 -40.48 79.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.988 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 82.8 mmm -58.35 -25.72 62.31 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.196 -1.365 . . . . 0.0 112.585 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -48.59 -38.15 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.742 0.782 . . . . 0.0 112.197 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -58.16 -36.16 72.61 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.32 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.04 -42.67 45.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.038 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -51.07 -43.53 61.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.951 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.09 -44.41 91.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 112.954 -1.93 . . . . 0.0 111.818 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -42.38 97.93 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 114.386 -1.279 . . . . 0.0 110.935 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.442 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -49.47 -48.19 47.92 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.689 -1.141 . . . . 0.0 111.443 175.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.442 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.47 -42.17 86.86 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.73 77.01 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.747 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . 0.514 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -57.84 -38.35 75.49 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.032 176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.98 -36.02 71.68 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.564 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.698 ' CG2' HG21 ' S' ' 40' ' ' VAL . 2.2 t -70.78 -35.17 59.23 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 114.272 -0.964 . . . . 0.0 110.38 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.15 83.72 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 116.869 -1.932 . . . . 0.0 109.746 175.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.31 17.15 0.2 Allowed 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 112.258 -2.246 . . . . 0.0 112.765 175.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.466 ' HA ' HG11 ' S' ' 35' ' ' VAL . 0.0 OUTLIER -61.06 -10.18 5.69 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 171.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -58.09 -15.1 8.22 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 119.725 -0.79 . . . . 0.0 112.096 168.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -61.95 14.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.934 163.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -66.42 -14.74 62.6 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 120.405 1.457 . . . . 0.0 112.455 171.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.97 -13.82 60.94 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-O 122.356 1.074 . . . . 0.0 111.073 169.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtm -126.93 -161.8 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -99.05 129.3 0.19 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 120.966 1.111 . . . . 0.0 112.041 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . 0.466 HG11 ' HA ' ' S' ' 28' ' ' LYS . 4.2 p -152.06 109.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.564 171.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.413 HG22 ' H ' ' S' ' 39' ' ' ALA . 5.7 mt -85.65 89.98 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.651 -176.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . 0.514 ' O ' HG12 ' S' ' 40' ' ' VAL . . . -51.45 -62.16 1.79 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.92 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' S' ' 38' ' ' GLU . 1.9 pm0 -46.12 -43.13 14.61 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.597 -1.183 . . . . 0.0 113.718 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.413 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -56.46 -29.88 62.24 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.935 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.698 HG21 ' CG2' ' S' ' 25' ' ' VAL . 2.2 p -54.36 -42.36 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 122.649 1.214 . . . . 0.0 112.006 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.79 -46.23 79.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 112.849 -1.978 . . . . 0.0 108.392 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -65.8 -27.11 68.02 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.488 -2.142 . . . . 0.0 111.246 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.25 -35.57 81.45 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.668 -1.605 . . . . 0.0 110.634 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -89.34 116.94 67.64 Favored Pre-proline 0 CA--C 1.543 0.69 0 CA-C-N 113.97 -1.468 . . . . 0.0 109.142 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -40.01 121.5 0.97 Allowed 'Trans proline' 0 CA--C 1.549 1.271 0 N-CA-C 115.633 1.359 . . . . 0.0 115.633 166.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -53.25 -24.17 10.64 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.468 -1.696 . . . . 0.0 113.544 -176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -27.03 11.78 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.003 -1.453 . . . . 0.0 112.569 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.81 38.92 3.01 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.208 177.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -57.04 -30.95 64.68 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.436 1.113 . . . . 0.0 112.174 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.0 m -55.19 -31.16 61.18 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 113.497 -1.683 . . . . 0.0 114.261 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -64.93 -47.3 78.18 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.141 1.525 . . . . 0.0 108.459 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . 0.553 ' CZ ' HG22 ' S' ' 40' ' ' VAL . 3.9 t80 -59.52 -50.06 75.39 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.97 -1.923 . . . . 0.0 110.871 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.456 ' O ' HD12 ' S' ' 57' ' ' ILE . 2.7 tmm_? -51.6 -50.57 59.93 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 112.538 -2.119 . . . . 0.0 110.283 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -45.22 89.83 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 118.043 -1.463 . . . . 0.0 110.094 -175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.55 68.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 112.843 -1.981 . . . . 0.0 111.306 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.506 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.1 OUTLIER -55.71 -47.18 77.28 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 124.118 0.886 . . . . 0.0 110.687 177.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.456 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.2 mp -62.28 -41.27 90.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.406 1.066 . . . . 0.0 109.823 -177.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.32 95.96 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.522 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.514 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 23.5 m-70 -68.46 -42.06 79.32 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.526 -175.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -31.21 72.32 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 117.287 -1.765 . . . . 0.0 110.245 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -44.07 82.66 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 122.489 1.138 . . . . 0.0 110.118 176.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.3 -37.27 72.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.197 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -59.23 -61.43 2.64 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.274 176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -32.44 51.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 119.111 -1.036 . . . . 0.0 111.763 -177.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -68.59 -18.77 64.39 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.635 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 17.7 mt 77.73 -54.9 0.52 Allowed 'General case' 0 C--N 1.353 0.722 0 C-N-CA 125.013 1.325 . . . . 0.0 110.841 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 29.2 t -34.92 -40.59 0.12 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 127.148 2.179 . . . . 0.0 113.291 171.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 56.49 78.77 0.2 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.119 0.961 . . . . 0.0 112.925 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.76 -35.3 2.34 Favored Pre-proline 0 CA--C 1.567 1.596 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.27 -129.13 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.086 0 N-CA-C 117.622 2.124 . . . . 0.0 117.622 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -54.74 -58.19 8.52 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -171.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 30.66 104.39 0.01 OUTLIER Pre-proline 0 CA--C 1.556 1.193 0 O-C-N 126.346 2.279 . . . . 0.0 114.822 -177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -50.3 121.92 8.51 Favored 'Trans proline' 0 C--N 1.363 1.316 0 N-CA-C 114.528 0.934 . . . . 0.0 114.528 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 95.41 4.07 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.217 -177.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.696 ' H ' HD22 ' S' ' 75' ' ' LEU . 0.0 OUTLIER -88.83 44.35 1.2 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.583 -1.644 . . . . 0.0 109.484 177.231 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 CA-C-N 113.558 -1.655 . . . . 0.0 108.138 -173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 12.7 ttp . . . . . 0 C--O 1.226 -0.163 0 N-CA-C 102.69 -3.078 . . . . 0.0 102.69 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 95.8 mt -131.39 161.33 32.68 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 125.608 1.817 . . . . 0.0 106.292 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -132.97 -175.86 3.92 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 152.52 122.69 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 127.33 2.252 . . . . 0.0 105.961 164.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.32 -34.44 76.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.319 -1.353 . . . . 0.0 110.236 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.22 -21.03 4.65 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 112.159 -2.291 . . . . 0.0 113.688 176.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -43.14 -39.97 3.05 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 123.822 0.701 . . . . 0.0 111.965 175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -90.66 103.75 16.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 113.909 -1.496 . . . . 0.0 108.922 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.56 140.55 0.47 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 174.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -56.3 -38.74 71.66 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.957 1.36 . . . . 0.0 111.342 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -40.54 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.039 -1.892 . . . . 0.0 111.443 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -79.75 -27.05 40.53 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.031 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 4.0 mmt -62.74 -22.76 66.79 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 119.255 -0.978 . . . . 0.0 112.024 173.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' HZ3' ' S' ' 15' ' ' LYS . 98.5 m-20 -54.9 -23.74 20.18 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 119.381 -0.928 . . . . 0.0 112.75 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' S' ' 14' ' ' ASP . 3.0 mmpm? -66.65 -34.67 78.4 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.616 -1.233 . . . . 0.0 110.814 178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 36.3 t -65.72 -40.88 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.385 174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -54.56 -41.87 70.31 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 114.552 -1.203 . . . . 0.0 111.831 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' S' ' 52' ' ' PHE . 2.6 t -52.73 -43.66 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.303 174.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.01 -48.82 77.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.98 -41.77 99.65 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.655 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.02 -44.98 79.24 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.263 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -44.41 78.44 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.64 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' ND1' ' S' ' 59' ' ' HIS . . . -61.56 -36.28 80.18 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.02 -1.446 . . . . 0.0 111.687 176.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.94 -39.74 69.86 Favored Glycine 0 CA--C 1.538 1.502 0 CA-C-N 113.999 -1.455 . . . . 0.0 111.923 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.11 -33.25 62.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 C-N-CA 118.755 -1.178 . . . . 0.0 111.04 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' S' ' 63' ' ' SER . . . -63.01 -19.42 64.33 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-O 121.67 0.748 . . . . 0.0 112.367 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' S' ' 35' ' ' VAL . 28.9 t80 -68.19 -3.43 10.59 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.677 172.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -13.8 5.96 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -74.97 -36.75 62.03 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.932 1.348 . . . . 0.0 110.483 170.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -89.21 17.88 5.59 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 112.638 -2.074 . . . . 0.0 110.76 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' S' ' 35' ' ' VAL . 0.1 OUTLIER -64.13 1.6 0.69 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 177.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -62.56 -22.05 66.05 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.809 167.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mmt -108.8 167.08 9.69 Favored Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 113.296 -1.774 . . . . 0.0 106.244 169.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -71.96 116.52 4.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 120.199 0.6 . . . . 0.0 112.107 -170.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . 0.499 HG21 ' HB3' ' S' ' 27' ' ' PHE . 12.0 p -144.05 117.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 CA-C-N 114.331 -1.304 . . . . 0.0 108.215 174.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.92 94.31 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 118.477 -1.289 . . . . 0.0 108.753 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.9 -9.68 40.63 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 113.795 -1.548 . . . . 0.0 112.966 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.63 -27.4 62.12 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.074 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.15 -40.85 61.98 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.048 0.843 . . . . 0.0 111.913 -165.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' S' ' 52' ' ' PHE . 0.1 OUTLIER -41.59 -57.97 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.472 0 CA-C-N 114.058 -1.428 . . . . 0.0 112.555 172.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.1 -41.87 97.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.181 -171.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -66.97 -35.69 80.52 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.672 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.12 22.67 9.15 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 113.622 -1.627 . . . . 0.0 110.312 -174.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -110.23 103.06 53.1 Favored Pre-proline 0 C--N 1.346 0.422 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -57.69 124.58 16.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 N-CA-C 109.905 -0.844 . . . . 0.0 109.905 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -28.91 30.12 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.856 1.313 . . . . 0.0 112.157 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -59.36 -26.38 65.03 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.896 -2.411 . . . . 0.0 113.056 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 46.52 1.68 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 121.943 0.877 . . . . 0.0 110.957 -173.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -58.1 -32.35 68.01 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 117.554 -1.659 . . . . 0.0 112.638 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 44.7 p -62.6 -35.94 81.16 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.411 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.62 -47.95 83.57 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.781 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . 0.626 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.5 OUTLIER -63.23 -52.95 60.11 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 126.042 2.089 . . . . 0.0 109.976 179.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -50.57 -56.71 10.48 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 113.284 -1.78 . . . . 0.0 111.705 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -57.62 -41.92 82.28 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.27 0.981 . . . . 0.0 110.659 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -36.38 74.93 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 118.454 -1.298 . . . . 0.0 111.199 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.463 HD12 ' C ' ' S' ' 56' ' ' LEU . 0.2 OUTLIER -53.13 -40.19 64.03 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.245 -178.208 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.7 mp -63.71 -44.34 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 118.973 -1.091 . . . . 0.0 109.759 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.05 84.16 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 113.984 -1.462 . . . . 0.0 111.243 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.429 ' ND1' ' HB2' ' S' ' 23' ' ' ALA . 89.7 m-70 -74.23 -25.82 59.88 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 113.206 -1.816 . . . . 0.0 112.768 -177.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -66.87 -46.58 74.54 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 118.96 -1.096 . . . . 0.0 109.741 172.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.7 -46.26 70.67 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 125.295 1.622 . . . . 0.0 109.656 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.91 91.71 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.369 -1.741 . . . . 0.0 112.256 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.456 ' HB2' ' HB1' ' S' ' 26' ' ' ALA . 0.7 OUTLIER -61.73 -51.71 67.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 118.789 -1.165 . . . . 0.0 111.404 -176.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.39 -31.61 52.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.293 -1.321 . . . . 0.0 111.156 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . 0.562 ' O ' HD12 ' S' ' 66' ' ' LEU . 0.0 OUTLIER -69.11 -20.76 64.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.576 -1.193 . . . . 0.0 112.543 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.562 HD12 ' O ' ' S' ' 65' ' ' ASN . 1.5 pp 46.83 38.43 6.0 Favored 'General case' 0 CA--C 1.551 1.0 0 O-C-N 124.211 0.945 . . . . 0.0 113.369 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -167.29 -106.24 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 113.769 -1.559 . . . . 0.0 108.903 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.24 -19.92 2.16 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.508 ' N ' ' CD ' ' S' ' 70' ' ' PRO 0.317 1.2 pp 123.86 -21.91 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.271 0 C-N-CA 129.874 3.27 . . . . 0.0 114.562 -179.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' S' ' 69' ' ' LEU . 91.2 Cg_endo -79.07 -159.56 0.11 Allowed 'Trans proline' 0 C--N 1.377 2.048 0 CA-C-N 120.943 1.372 . . . . 0.0 111.183 -170.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -62.9 125.34 23.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.867 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.49 102.73 0.32 Allowed Pre-proline 0 CA--C 1.558 1.273 0 O-C-N 125.492 1.745 . . . . 0.0 111.544 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.23 133.93 3.43 Favored 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 122.029 1.819 . . . . 0.0 110.295 -171.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.35 -176.86 2.29 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 21.7 mt -91.65 163.2 14.19 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 125.363 1.664 . . . . 0.0 108.535 172.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 tptm . . . . . 0 CA--C 1.541 0.618 0 O-C-N 126.221 2.201 . . . . 0.0 111.102 -178.577 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.484 ' SD ' ' N ' ' S' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 119.643 -0.218 . . . . 0.0 111.282 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . 0.418 ' O ' ' NZ ' ' S' ' 3' ' ' LYS . 2.1 mp -16.72 -110.09 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 128.043 2.537 . . . . 0.0 115.665 -171.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' S' ' 2' ' ' LEU . 1.9 mtmp? 97.17 136.35 0.02 OUTLIER 'General case' 0 C--N 1.356 0.862 0 C-N-CA 127.358 2.263 . . . . 0.0 109.04 -173.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.34 -29.3 70.63 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.616 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.6 -22.72 67.05 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 114.042 -1.435 . . . . 0.0 111.592 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . 0.486 ' O ' ' NZ ' ' S' ' 15' ' ' LYS . . . -67.7 -15.15 63.49 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.491 175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.34 -72.68 0.52 Allowed 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.112 173.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 10.3 mp -86.59 96.1 9.98 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.97 -170.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -171.91 153.5 3.26 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 164.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -61.97 -45.33 94.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 122.0 0.905 . . . . 0.0 111.608 -175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -55.85 -31.66 62.95 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.014 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mp0 -84.35 -4.79 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.224 -1.807 . . . . 0.0 112.206 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 38.7 mmt -77.24 -13.61 59.91 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 123.736 0.647 . . . . 0.0 110.821 171.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -46.42 -38.91 9.67 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . 0.486 ' NZ ' ' O ' ' S' ' 6' ' ' ALA . 1.5 mppt? -57.67 -42.73 84.14 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.998 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 p -69.18 -39.84 79.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 117.495 -1.682 . . . . 0.0 109.682 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -57.1 -45.69 83.19 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 113.915 -1.493 . . . . 0.0 110.218 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.07 -34.93 71.77 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 CA-C-N 112.856 -1.974 . . . . 0.0 111.698 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -63.61 -41.17 98.33 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 122.041 0.924 . . . . 0.0 110.323 175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.3 mp -65.99 -38.02 87.42 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.496 -1.229 . . . . 0.0 110.335 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -38.1 70.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.336 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.25 -27.68 64.2 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.652 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.12 -38.17 63.89 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 121.528 0.68 . . . . 0.0 110.33 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.85 -41.78 67.9 Favored Glycine 0 CA--C 1.539 1.54 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.583 170.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.554 HG22 ' CG1' ' S' ' 40' ' ' VAL . 10.7 t -63.53 -49.84 80.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.85 176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.92 -43.48 29.01 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-O 122.431 1.11 . . . . 0.0 112.133 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -59.08 -5.12 0.6 Allowed 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 111.582 -2.554 . . . . 0.0 113.945 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -16.24 5.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 164.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.53 -28.54 68.5 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.455 1.122 . . . . 0.0 111.105 173.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -102.66 36.39 2.19 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.806 177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.16 -17.33 6.97 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -76.34 76.17 3.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 117.623 -1.631 . . . . 0.0 108.437 160.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 4.6 mtm 152.28 151.27 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 131.472 3.909 . . . . 0.0 105.024 -176.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.64 121.67 8.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 C-N-CA 120.854 1.036 . . . . 0.0 112.482 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.8 113.4 22.41 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -83.93 74.63 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.122 -169.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 -33.54 52.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 113.608 -1.633 . . . . 0.0 113.717 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -66.61 -35.0 79.15 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 119.162 -1.015 . . . . 0.0 112.399 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -22.89 66.56 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.226 -1.352 . . . . 0.0 111.816 -168.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.554 ' CG1' HG22 ' S' ' 25' ' ' VAL . 2.8 m -59.67 -29.78 43.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.679 -173.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -88.6 -12.71 41.86 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.892 -1.504 . . . . 0.0 112.249 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -99.9 -39.77 8.01 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.22 0.95 . . . . 0.0 110.674 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -63.25 -46.09 88.5 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.523 -1.672 . . . . 0.0 109.878 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -65.84 109.66 3.49 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 112.006 -2.361 . . . . 0.0 110.719 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -78.39 139.98 16.87 Favored 'Trans proline' 0 C--N 1.361 1.201 0 CA-C-O 121.952 0.73 . . . . 0.0 111.325 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.08 -35.95 0.63 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 113.683 -1.599 . . . . 0.0 114.897 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -74.24 18.23 0.16 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -172.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 pp -150.54 30.01 0.68 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.616 -0.834 . . . . 0.0 111.616 174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -52.1 -38.86 58.7 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.241 1.02 . . . . 0.0 112.11 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 3.1 p -54.36 -55.41 28.85 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.141 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -59.16 -51.15 71.26 Favored 'General case' 0 C--N 1.344 0.351 0 CA-C-N 111.553 -2.567 . . . . 0.0 111.158 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -64.64 -38.16 90.07 Favored 'General case' 0 C--O 1.219 -0.515 0 C-N-CA 117.786 -1.565 . . . . 0.0 110.654 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.455 ' HB3' HH11 ' S' ' 53' ' ' ARG . 0.3 OUTLIER -59.24 -48.6 81.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.875 175.202 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.08 -49.55 68.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.651 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -70.08 -26.64 64.09 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-N 112.863 -1.972 . . . . 0.0 111.742 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 23.1 mt -64.31 -45.62 87.15 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 118.946 -1.102 . . . . 0.0 109.565 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 70.5 mt -57.56 -52.79 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-O 122.409 1.1 . . . . 0.0 109.842 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.95 72.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.408 -1.724 . . . . 0.0 112.221 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.66 -15.78 47.57 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.72 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -68.89 -47.02 66.88 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 168.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.5 -39.65 84.53 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 112.952 -1.931 . . . . 0.0 110.755 174.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.17 79.79 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.213 173.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -49.79 -46.78 51.2 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.064 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 m -65.0 -39.65 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 111.586 -174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -91.76 2.95 56.16 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.791 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.06 -28.01 66.06 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 121.665 0.745 . . . . 0.0 111.845 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -108.68 33.57 4.13 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.378 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -76.03 31.31 0.12 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 pp 20.81 64.31 0.27 Allowed Pre-proline 0 CA--C 1.559 1.324 0 C-N-CA 125.579 1.551 . . . . 0.0 115.124 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.67 140.91 21.48 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 121.341 1.36 . . . . 0.0 110.029 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 82.8 t80 79.26 153.35 0.13 Allowed 'General case' 0 C--N 1.354 0.79 0 O-C-N 125.544 1.778 . . . . 0.0 109.042 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -106.74 108.94 62.75 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 113.264 -1.789 . . . . 0.0 106.928 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -63.48 -140.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.365 1.405 0 C-N-CA 121.22 1.28 . . . . 0.0 113.771 173.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 78.09 145.46 0.09 Allowed 'General case' 0 C--N 1.352 0.678 0 CA-C-N 114.246 -1.343 . . . . 0.0 108.299 -172.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt 76.17 -66.37 0.27 Allowed 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.919 -1.491 . . . . 0.0 113.106 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 O-C-N 124.35 1.031 . . . . 0.0 108.378 -165.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.222 -0.39 0 N-CA-C 105.885 -1.895 . . . . 0.0 105.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.09 28.2 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -80.55 -85.9 0.09 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 74.17 -59.97 0.54 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.392 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -50.25 -31.83 15.1 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.644 1.212 . . . . 0.0 112.211 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.44 -7.17 0.36 Allowed 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 112.354 -2.203 . . . . 0.0 115.671 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -25.28 59.82 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 174.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.78 114.88 6.58 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 119.569 -0.852 . . . . 0.0 109.402 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 166.36 142.18 0.02 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.94 -45.84 67.86 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 124.22 0.95 . . . . 0.0 111.857 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -30.48 67.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 117.541 -1.664 . . . . 0.0 111.245 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -60.62 -34.62 74.52 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 117.302 -1.759 . . . . 0.0 111.746 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 8.4 mtt -80.17 -48.52 13.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.741 -1.572 . . . . 0.0 109.996 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.93 -45.66 82.57 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 122.764 1.269 . . . . 0.0 111.096 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.99 -40.29 92.93 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.473 -2.149 . . . . 0.0 111.351 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -39.98 86.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 118.142 -1.423 . . . . 0.0 110.347 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.3 -43.47 98.83 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 112.893 -1.958 . . . . 0.0 111.274 -176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . 0.605 HG22 ' OE1' ' S' ' 44' ' ' GLN . 95.4 t -54.63 -39.25 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-N 113.401 -1.727 . . . . 0.0 111.589 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.28 -42.25 75.76 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 112.911 -1.95 . . . . 0.0 111.076 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.569 HD23 ' N ' ' S' ' 21' ' ' ALA . 0.2 OUTLIER -51.15 -47.73 62.0 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 125.514 1.759 . . . . 0.0 109.904 175.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.569 ' N ' HD23 ' S' ' 20' ' ' LEU . . . -62.23 -45.62 92.53 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.682 -178.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.17 76.55 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 113.658 -1.61 . . . . 0.0 112.296 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.88 91.41 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.928 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.86 -31.79 55.03 Favored Glycine 0 CA--C 1.541 1.697 0 CA-C-N 113.357 -1.747 . . . . 0.0 112.922 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' S' ' 40' ' ' VAL . 2.4 t -71.82 -25.73 24.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.121 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.92 65.47 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 118.321 -1.351 . . . . 0.0 111.107 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -62.21 -3.92 1.52 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 112.897 -1.956 . . . . 0.0 112.062 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -52.03 -27.6 14.21 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 171.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.6 -33.51 76.07 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.753 -1.579 . . . . 0.0 111.141 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -80.4 45.16 0.74 Allowed 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.635 170.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.56 3.94 10.35 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.481 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -65.75 -15.71 63.09 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.814 161.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.0 mtt -121.12 171.32 6.1 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 113.095 -1.866 . . . . 0.0 106.306 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.09 125.48 7.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.076 1.184 . . . . 0.0 111.785 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.5 139.3 32.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 174.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 7.2 mt -126.05 99.0 5.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 122.305 1.05 . . . . 0.0 109.677 -176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.85 -17.05 64.38 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.571 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -72.79 -38.65 67.17 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 114.181 -1.372 . . . . 0.0 110.744 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.59 -42.42 86.97 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 122.303 1.049 . . . . 0.0 110.945 -164.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' S' ' 25' ' ' VAL . 0.0 OUTLIER -55.63 -54.13 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 113.367 -1.742 . . . . 0.0 111.455 171.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -59.57 -33.35 71.32 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.372 -1.286 . . . . 0.0 112.507 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -82.42 -29.34 30.8 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.313 1.008 . . . . 0.0 110.383 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -76.79 -46.5 24.79 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.526 -176.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . 0.605 ' OE1' HG22 ' S' ' 18' ' ' VAL . 68.0 mm-40 -77.67 123.78 86.56 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-N 113.437 -1.71 . . . . 0.0 108.972 -174.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -68.03 136.78 39.05 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 N-CA-C 109.813 -0.88 . . . . 0.0 109.813 -176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -49.24 -26.52 3.01 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 113.72 -1.582 . . . . 0.0 112.75 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -26.07 26.21 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 113.397 -1.729 . . . . 0.0 112.629 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -124.37 26.17 7.44 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.061 0.851 . . . . 0.0 111.702 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -48.85 -41.52 33.38 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 40.2 t -54.73 -45.72 74.15 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.279 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -63.63 -51.98 62.83 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.268 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -55.27 -46.24 76.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.637 -1.62 . . . . 0.0 110.976 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.445 ' O ' HD12 ' S' ' 57' ' ' ILE . 3.2 tpm_? -65.31 -48.52 72.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.944 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -54.44 -50.72 67.01 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 123.329 1.538 . . . . 0.0 110.179 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -39.32 90.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 112.073 -2.33 . . . . 0.0 111.514 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.431 HD13 ' N ' ' S' ' 57' ' ' ILE . 0.1 OUTLIER -50.14 -46.43 53.89 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.832 0.708 . . . . 0.0 111.216 176.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.445 HD12 ' O ' ' S' ' 53' ' ' ARG . 2.7 mp -57.66 -47.61 85.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.309 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -40.03 71.69 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.276 -1.329 . . . . 0.0 111.816 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -68.35 -24.49 64.82 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 113.567 -1.651 . . . . 0.0 111.841 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.79 -43.25 84.41 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 117.856 -1.538 . . . . 0.0 110.879 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.56 -49.7 76.5 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 113.564 -1.653 . . . . 0.0 108.795 177.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.2 64.23 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.334 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . 0.716 ' O ' HD22 ' S' ' 66' ' ' LEU . 25.6 p -66.06 -39.18 89.89 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.203 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.56 -41.57 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 117.73 -1.588 . . . . 0.0 109.499 -178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.27 12.61 7.76 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.264 -1.334 . . . . 0.0 112.59 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.716 HD22 ' O ' ' S' ' 63' ' ' SER . 1.1 pt? -60.96 -29.75 69.84 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 119.174 -1.01 . . . . 0.0 111.919 -175.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . 0.569 ' H ' HD23 ' S' ' 66' ' ' LEU . 26.3 t -112.33 72.56 0.78 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.325 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -66.91 -88.74 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.654 1.221 . . . . 0.0 111.011 172.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.427 HD12 ' O ' ' S' ' 69' ' ' LEU . 0.7 OUTLIER 172.59 -56.18 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.644 -170.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.63 -168.76 0.42 Allowed 'Trans proline' 0 C--N 1.368 1.583 0 CA-C-O 122.305 0.877 . . . . 0.0 111.983 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -85.52 -8.36 58.37 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 113.209 -1.814 . . . . 0.0 112.891 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 68.26 107.65 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 O-C-N 124.488 1.117 . . . . 0.0 110.897 -173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.13 140.5 22.54 Favored 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 121.128 1.219 . . . . 0.0 110.314 175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.07 52.04 0.61 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.967 -1.924 . . . . 0.0 108.335 -172.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.439 HD23 ' H ' ' S' ' 75' ' ' LEU . 1.4 pt? -124.63 -171.65 2.39 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 112.992 -1.913 . . . . 0.0 107.768 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 tptp . . . . . 0 CA--C 1.541 0.601 0 O-C-N 125.563 1.789 . . . . 0.0 108.507 178.382 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 90.2 mt -146.06 -82.28 0.14 Allowed 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.533 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.96 179.81 1.87 Allowed 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -157.94 -61.96 0.08 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 112.604 -2.089 . . . . 0.0 107.328 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -27.06 -76.26 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -171.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.47 -16.05 58.96 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.924 -175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -88.05 -22.83 23.98 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.85 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mp -148.59 93.51 2.15 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 113.679 -1.601 . . . . 0.0 107.141 -171.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -141.81 -104.81 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -50.71 -45.5 58.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.339 0.59 . . . . 0.0 111.806 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 36.1 m -50.74 -56.84 10.14 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.337 -1.301 . . . . 0.0 112.344 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -64.52 -45.4 87.39 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 123.081 1.419 . . . . 0.0 109.291 -168.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 3.0 ttp -71.25 -38.84 71.9 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 112.104 -2.316 . . . . 0.0 111.399 -173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.45 -45.04 81.03 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 123.115 1.436 . . . . 0.0 110.252 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -32.88 67.73 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.861 -2.427 . . . . 0.0 111.895 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 83.6 t -77.56 -39.72 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 O-C-N 124.349 1.031 . . . . 0.0 111.36 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -53.12 -49.15 67.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 123.608 1.671 . . . . 0.0 110.984 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . 0.426 HG12 HH11 ' S' ' 55' ' ' ARG . 70.1 t -62.17 -21.14 25.82 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.44 0 CA-C-N 111.843 -2.435 . . . . 0.0 111.753 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.08 -50.01 65.6 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 121.916 0.865 . . . . 0.0 108.909 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.06 -43.06 99.65 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.512 -2.131 . . . . 0.0 109.573 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.76 72.31 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 113.988 -1.46 . . . . 0.0 111.465 175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.44 88.03 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.782 -1.553 . . . . 0.0 112.318 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . 0.543 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -58.26 -41.23 83.8 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.097 -1.41 . . . . 0.0 111.123 176.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.83 -41.71 67.5 Favored Glycine 0 CA--C 1.536 1.359 0 CA-C-N 112.979 -1.919 . . . . 0.0 111.985 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.557 HG21 HG23 ' S' ' 40' ' ' VAL . 5.1 t -74.82 -21.31 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 118.075 -1.45 . . . . 0.0 111.811 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -22.94 66.81 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.403 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -63.73 -0.65 1.06 Allowed 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 114.173 -1.376 . . . . 0.0 112.402 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -56.33 -23.75 39.33 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 168.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.63 -30.53 70.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 117.278 -1.769 . . . . 0.0 111.515 172.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.6 5.29 36.5 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.902 -1.954 . . . . 0.0 112.025 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -44.52 -17.26 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 128.546 2.738 . . . . 0.0 115.712 -172.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -49.56 -26.57 3.61 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.339 167.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.64 159.59 32.68 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 126.925 2.09 . . . . 0.0 107.936 170.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.13 132.53 42.14 Favored 'Trans proline' 0 C--N 1.366 1.455 0 C-N-CA 122.168 1.912 . . . . 0.0 115.542 -172.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.23 129.06 19.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mt -85.69 82.03 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.202 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.34 86.87 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.374 -1.284 . . . . 0.0 112.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -53.28 -32.27 47.84 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 121.924 0.868 . . . . 0.0 112.335 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -25.54 68.12 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.357 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.557 HG23 HG21 ' S' ' 25' ' ' VAL . 1.4 p -55.01 -38.26 45.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 122.271 1.034 . . . . 0.0 111.673 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -83.01 -43.54 16.24 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 113.252 -1.794 . . . . 0.0 109.723 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -67.23 -29.95 69.73 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.246 -1.343 . . . . 0.0 112.263 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 8.69 21.55 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 114.046 -1.434 . . . . 0.0 110.573 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -105.9 109.12 62.87 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.533 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.36 127.82 14.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 N-CA-C 108.877 -1.24 . . . . 0.0 108.877 169.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -49.39 -34.67 16.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.91 -1.495 . . . . 0.0 112.406 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . 0.445 ' HB2' HD23 ' S' ' 48' ' ' LEU . 13.6 m170 -42.05 -29.77 0.24 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 111.689 -2.505 . . . . 0.0 113.433 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.2 OUTLIER -143.28 59.99 1.4 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 113.751 -1.568 . . . . 0.0 109.059 -178.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -29.16 68.25 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 113.89 -1.504 . . . . 0.0 113.116 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 8.2 t -73.57 -26.22 60.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 117.232 -1.787 . . . . 0.0 111.306 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -67.11 -52.45 41.66 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.944 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . 0.41 ' CD2' HG13 ' S' ' 18' ' ' VAL . 0.7 OUTLIER -61.16 -44.85 96.66 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.173 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.55 ' HE ' HD23 ' S' ' 56' ' ' LEU . 0.9 OUTLIER -60.59 -53.84 52.66 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 117.846 -1.542 . . . . 0.0 110.605 -171.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.54 -49.58 74.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 113.866 -1.516 . . . . 0.0 110.988 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.426 HH11 HG12 ' S' ' 18' ' ' VAL . 6.2 ptm180 -67.08 -23.83 65.89 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 117.458 -1.697 . . . . 0.0 112.328 -174.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . 0.55 HD23 ' HE ' ' S' ' 53' ' ' ARG . 0.3 OUTLIER -60.18 -37.4 80.07 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.794 -1.162 . . . . 0.0 110.066 -178.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.1 mt -64.25 -36.85 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.216 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.18 78.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.048 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 7.6 m-70 -67.97 -45.17 74.95 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.447 -175.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.55 -36.9 77.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 118.414 -1.314 . . . . 0.0 110.711 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.408 ' O ' HD22 ' S' ' 61' ' ' LEU . 0.2 OUTLIER -59.1 -44.43 91.96 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.377 175.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.87 70.39 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.786 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -51.84 -50.4 60.96 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 114.276 -1.329 . . . . 0.0 112.197 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 37.3 t -55.5 -39.16 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.52 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -70.76 -31.15 67.85 Favored 'General case' 0 C--O 1.22 -0.474 0 C-N-CA 118.728 -1.189 . . . . 0.0 112.424 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp 140.8 -6.27 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 125.887 1.992 . . . . 0.0 112.175 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 10.2 t 78.45 52.43 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 122.358 1.075 . . . . 0.0 111.817 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -85.42 43.89 1.06 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.182 -1.826 . . . . 0.0 113.059 -171.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 27.87 63.3 0.65 Allowed Pre-proline 0 CA--C 1.567 1.615 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.39 165.7 31.17 Favored 'Trans proline' 0 C--N 1.366 1.471 0 C-N-CA 121.706 1.604 . . . . 0.0 112.667 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -122.06 156.53 33.35 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.435 -1.711 . . . . 0.0 108.063 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . 0.533 ' H ' ' HD2' ' S' ' 73' ' ' PRO . 18.7 mm-40 -141.75 -52.42 0.02 OUTLIER Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 125.044 1.465 . . . . 0.0 112.77 -170.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . 0.533 ' HD2' ' H ' ' S' ' 72' ' ' GLU . 4.3 Cg_endo -59.59 -155.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.374 1.912 0 CA-C-N 118.925 0.652 . . . . 0.0 113.712 171.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 107.35 0.14 Allowed 'General case' 0 C--N 1.359 0.994 0 CA-C-O 121.165 0.507 . . . . 0.0 110.948 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.58 127.43 31.28 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 126.333 2.27 . . . . 0.0 109.397 -174.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 -176.191 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 C--O 1.226 -0.168 0 N-CA-C 103.444 -2.798 . . . . 0.0 103.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? 72.76 -78.51 0.05 OUTLIER 'General case' 0 C--N 1.349 0.571 0 O-C-N 125.492 1.745 . . . . 0.0 109.291 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 mttp 77.85 121.38 0.05 OUTLIER 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.744 1.902 . . . . 0.0 108.44 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -81.38 -143.53 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.1 60.57 1.99 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 122.692 1.234 . . . . 0.0 112.476 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' S' ' 12' ' ' GLU . . . 62.89 27.83 16.14 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 112.561 -2.108 . . . . 0.0 112.121 177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.37 33.18 22.32 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.328 -1.306 . . . . 0.0 111.658 -173.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . 0.482 HD23 ' O ' ' S' ' 8' ' ' LEU . 1.4 tt 75.32 -5.23 2.21 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-N 112.953 -1.93 . . . . 0.0 111.227 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.01 91.63 4.26 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 118.747 -1.181 . . . . 0.0 109.572 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.88 -36.95 40.67 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 122.736 1.255 . . . . 0.0 111.383 171.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -38.86 74.83 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 113.49 -1.686 . . . . 0.0 111.471 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . 0.505 ' HB2' ' HB1' ' S' ' 6' ' ' ALA . 20.8 mm-40 -57.92 -43.64 86.37 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.123 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 90.5 mtp -59.71 -56.17 25.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.967 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -52.08 -47.5 65.16 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 114.59 -1.186 . . . . 0.0 112.056 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -67.44 -35.14 78.65 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.253 -1.794 . . . . 0.0 111.617 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . 0.452 HG23 ' O ' ' S' ' 12' ' ' GLU . 14.5 t -63.22 -40.29 88.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.821 176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -55.98 -44.37 78.51 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 118.494 -1.282 . . . . 0.0 111.192 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.61 -38.28 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 CA-C-N 113.772 -1.558 . . . . 0.0 111.628 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' S' ' 22' ' ' ALA . 26.3 t0 -54.75 -53.68 51.9 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.367 177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -59.15 -40.45 85.57 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 113.221 -1.808 . . . . 0.0 110.71 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.574 ' O ' HG23 ' S' ' 25' ' ' VAL . . . -54.01 -40.19 66.77 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.889 -1.505 . . . . 0.0 111.585 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' S' ' 19' ' ' ASP . . . -55.23 -46.28 75.99 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.011 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -57.74 -45.89 85.23 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.757 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.88 -34.76 61.87 Favored Glycine 0 CA--C 1.54 1.628 0 CA-C-N 112.574 -2.103 . . . . 0.0 113.064 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.776 HG22 HG21 ' S' ' 40' ' ' VAL . 2.3 t -75.32 -35.41 33.29 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 118.373 -1.331 . . . . 0.0 110.294 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.29 66.91 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 122.352 1.072 . . . . 0.0 111.528 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -61.36 0.7 0.26 Allowed 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 113.377 -1.738 . . . . 0.0 113.213 170.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -51.06 -24.38 3.84 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 163.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.28 -32.5 73.23 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 116.29 -2.164 . . . . 0.0 111.61 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.1 tpt85 -89.2 19.08 4.51 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.789 -1.55 . . . . 0.0 111.508 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . 0.588 ' HA ' HG12 ' S' ' 35' ' ' VAL . 1.0 OUTLIER -64.04 -4.64 3.63 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.38 -19.34 63.31 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.219 167.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 164.19 15.98 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 168.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -63.19 112.12 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 122.424 0.697 . . . . 0.0 113.035 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' S' ' 31' ' ' TYR . 9.5 p -141.88 110.77 2.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 169.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.664 HG22 ' H ' ' S' ' 39' ' ' ALA . 6.8 mt -93.33 111.11 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 113.612 -1.631 . . . . 0.0 108.474 -177.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.26 -17.84 63.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 112.588 -2.096 . . . . 0.0 112.935 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -54.83 6.07 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.185 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.664 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -54.65 -47.73 73.17 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.588 -170.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.776 HG21 HG22 ' S' ' 25' ' ' VAL . 6.4 m -50.08 -44.86 22.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 113.706 -1.588 . . . . 0.0 112.077 174.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -73.56 -25.9 60.59 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.76 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -82.25 -20.9 36.68 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.201 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -82.89 -0.68 49.48 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 114.749 -1.114 . . . . 0.0 111.856 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' S' ' 44' ' ' GLN . 0.0 OUTLIER -87.9 133.99 36.29 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.84 122.02 10.76 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 119.97 0.447 . . . . 0.0 111.75 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.06 -28.6 10.73 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 122.848 1.309 . . . . 0.0 112.862 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -53.95 -15.99 1.65 Allowed 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 112.307 -2.224 . . . . 0.0 114.279 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.92 42.62 1.13 Allowed 'General case' 0 C--N 1.352 0.703 0 CA-C-O 121.667 0.746 . . . . 0.0 112.428 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -53.41 -41.35 65.91 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.337 1.065 . . . . 0.0 112.851 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 35.9 m -59.43 -33.58 71.44 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.304 -1.771 . . . . 0.0 112.399 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . . . . . . . . . 64.2 t-105 -62.49 -42.86 99.78 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.693 -1.14 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -46.89 84.92 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.726 -2.034 . . . . 0.0 110.5 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -55.81 -41.85 74.8 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.618 -175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -60.17 -51.43 69.63 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.31 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -68.89 -26.32 65.05 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.672 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 mt -58.45 -46.69 86.05 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.842 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 4.0 mt -58.3 -44.06 87.43 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 117.917 -1.513 . . . . 0.0 110.782 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.02 79.36 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.719 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 23.9 m-70 -71.54 -28.19 63.7 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 113.631 -1.622 . . . . 0.0 112.594 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -64.82 -44.57 89.43 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 119.269 -0.972 . . . . 0.0 109.47 174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.06 -48.56 67.58 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.886 1.366 . . . . 0.0 110.483 172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.76 84.08 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.408 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 1.2 m -62.79 -47.03 85.23 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 113.683 -1.599 . . . . 0.0 112.414 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.35 -29.42 46.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 117.279 -1.768 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -74.72 -16.8 60.73 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.154 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' S' ' 68' ' ' ARG . 1.4 mt -8.31 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 126.424 1.889 . . . . 0.0 113.165 -172.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 3.0 t 52.35 -66.91 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 O-C-N 126.929 2.643 . . . . 0.0 113.627 168.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' S' ' 66' ' ' LEU . 0.3 OUTLIER 51.02 49.25 21.56 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 123.662 1.696 . . . . 0.0 111.215 167.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.898 HD13 ' H ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -70.83 164.89 51.95 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 109.935 -3.302 . . . . 0.0 108.098 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.22 -150.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.317 0 O-C-N 123.684 1.36 . . . . 0.0 115.123 172.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.38 -174.05 2.71 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.08 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.91 104.31 54.18 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 113.439 -1.71 . . . . 0.0 107.497 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -47.22 -85.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.368 1.573 0 C-N-CA 122.294 1.996 . . . . 0.0 115.063 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 tptm 162.26 122.3 0.0 OUTLIER 'General case' 0 C--N 1.345 0.379 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 -177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.4 105.39 1.78 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 170.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 O-C-N 126.404 2.315 . . . . 0.0 112.02 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . 0.571 ' C ' HD13 ' S' ' 2' ' ' LEU . 1.9 mmt . . . . . 0 C--O 1.222 -0.379 0 N-CA-C 103.25 -2.871 . . . . 0.0 103.25 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . 0.571 HD13 ' C ' ' S' ' 1' ' ' MET . 0.0 OUTLIER -147.88 156.48 42.74 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 -177.316 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt 73.83 -8.94 1.3 Allowed 'General case' 0 CA--C 1.548 0.894 0 O-C-N 125.354 1.659 . . . . 0.0 111.701 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' S' ' 2' ' ' LEU . 32.7 m120 -117.55 105.84 12.5 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 104.353 -2.462 . . . . 0.0 104.353 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mp -75.67 64.7 1.74 Allowed 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.787 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' S' ' 9' ' ' ASP . . . 48.26 31.55 2.71 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -175.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.64 17.27 10.58 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.572 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mt 135.07 102.87 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 130.596 3.558 . . . . 0.0 108.562 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' S' ' 6' ' ' ALA . 53.2 t0 -148.34 -81.88 0.12 Allowed 'General case' 0 C--N 1.359 1.022 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.454 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -53.49 -51.27 63.31 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 122.843 1.306 . . . . 0.0 110.643 -178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -53.95 -41.5 67.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 111.84 -2.436 . . . . 0.0 111.23 171.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.97 -38.46 91.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.069 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mtt -56.72 -54.14 49.69 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.973 0.796 . . . . 0.0 111.361 -175.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -56.24 -38.55 71.24 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 123.062 1.411 . . . . 0.0 111.328 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' CZ2' ' S' ' 51' ' ' TRP . 14.4 mtpp -71.17 -28.2 64.08 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 113.978 -1.464 . . . . 0.0 111.947 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.1 -40.41 58.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -36.31 80.0 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 118.0 -1.48 . . . . 0.0 110.953 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.45 -40.26 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 CA-C-N 113.472 -1.695 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -41.8 93.91 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.873 -1.512 . . . . 0.0 111.442 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . 0.425 HD13 ' N ' ' S' ' 21' ' ' ALA . 0.1 OUTLIER -53.38 -51.18 63.35 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 124.238 0.961 . . . . 0.0 110.776 176.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . 0.425 ' N ' HD13 ' S' ' 20' ' ' LEU . . . -58.7 -45.78 88.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.29 79.89 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 113.617 -1.629 . . . . 0.0 112.107 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . 0.436 ' HB2' ' CE1' ' S' ' 59' ' ' HIS . . . -59.51 -41.89 90.95 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.97 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.77 -32.28 54.69 Favored Glycine 0 CA--C 1.54 1.641 0 CA-C-N 112.438 -2.165 . . . . 0.0 113.262 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.823 HG22 HG21 ' S' ' 40' ' ' VAL . 2.7 t -72.55 -39.88 62.15 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-O 122.068 0.937 . . . . 0.0 110.219 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.29 75.19 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 118.193 -1.403 . . . . 0.0 110.122 175.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.72 33.06 0.25 Allowed 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.949 174.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.8 -8.03 32.53 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 121.368 0.604 . . . . 0.0 111.598 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.75 -17.62 24.61 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 122.365 1.079 . . . . 0.0 111.71 168.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -64.09 15.61 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 113.268 -1.787 . . . . 0.0 114.404 163.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -62.54 -16.76 57.67 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 120.52 1.509 . . . . 0.0 111.704 172.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -64.22 -11.0 26.9 Favored 'General case' 0 CA--C 1.557 1.232 0 CA-C-N 113.74 -1.573 . . . . 0.0 112.443 169.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 2.4 ptm -137.48 -167.42 0.15 Allowed Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 127.319 2.248 . . . . 0.0 105.069 174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -86.01 126.36 2.84 Favored 'Trans proline' 0 C--N 1.363 1.313 0 C-N-CA 120.596 0.864 . . . . 0.0 113.327 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.27 141.44 28.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 169.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.449 HG22 ' H ' ' S' ' 39' ' ' ALA . 9.0 mt -136.51 111.49 10.82 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 124.741 1.275 . . . . 0.0 108.977 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -30.01 70.56 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.941 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -66.82 -46.97 73.47 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.368 173.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.449 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -63.78 -48.1 78.25 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 118.688 -1.205 . . . . 0.0 110.972 -166.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.823 HG21 HG22 ' S' ' 25' ' ' VAL . 15.7 m -54.68 -49.92 64.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 CA-C-N 113.095 -1.866 . . . . 0.0 111.968 174.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -60.68 -34.72 74.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.59 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -82.81 -27.83 30.64 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.598 -176.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -72.18 -36.68 69.32 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.723 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.61 137.15 96.38 Favored Pre-proline 0 CA--C 1.554 1.124 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.059 173.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -70.92 115.4 4.24 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 120.706 0.937 . . . . 0.0 111.367 172.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -48.48 -27.7 2.85 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 114.473 -1.239 . . . . 0.0 113.399 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . 0.433 ' HB2' HD23 ' S' ' 48' ' ' LEU . 34.6 m80 -45.02 -34.67 2.58 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 114.403 -1.271 . . . . 0.0 113.077 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.1 OUTLIER -124.27 45.98 2.38 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.394 178.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -37.14 64.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 114.461 -1.245 . . . . 0.0 112.726 177.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -59.87 -34.25 72.9 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.09 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . 0.422 ' CZ2' ' HB3' ' S' ' 15' ' ' LYS . 74.8 t-105 -64.38 -45.21 88.69 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.632 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.25 -45.03 94.68 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.965 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -50.23 74.4 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.416 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -61.09 -44.18 97.75 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.863 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' CZ2' ' S' ' 51' ' ' TRP . 0.0 OUTLIER -69.1 -30.67 69.01 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.38 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.21 -46.96 75.94 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.691 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.81 -44.82 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.512 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.71 81.13 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.95 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' S' ' 23' ' ' ALA . 60.6 m-70 -75.55 -29.74 59.48 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.274 -177.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' S' ' 60' ' ' ARG . 0.2 OUTLIER -61.78 -50.29 72.94 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 118.836 -1.146 . . . . 0.0 108.934 173.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.59 -51.47 55.25 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 113.598 -1.637 . . . . 0.0 110.575 171.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.67 69.97 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.092 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 6.9 t -68.45 -49.33 60.63 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.398 -177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.34 -36.21 60.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 118.265 -1.374 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -81.14 -26.58 36.0 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.492 -1.231 . . . . 0.0 110.82 -171.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 tt -13.75 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 128.723 2.809 . . . . 0.0 114.356 -171.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . . . . . . . . . 34.8 t -141.45 31.38 1.7 Allowed 'General case' 0 C--N 1.345 0.403 0 CA-C-N 113.627 -1.624 . . . . 0.0 109.605 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -39.42 84.3 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 122.847 1.308 . . . . 0.0 109.93 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.414 HD12 ' HD2' ' S' ' 70' ' ' PRO . 6.3 tp -109.1 124.96 32.62 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 111.375 -2.648 . . . . 0.0 105.159 173.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . 0.414 ' HD2' HD12 ' S' ' 69' ' ' LEU . 72.6 Cg_endo -76.23 -149.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.453 0 O-C-N 123.324 1.17 . . . . 0.0 109.936 172.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -100.29 -86.98 0.38 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 62.61 155.97 0.12 Allowed Pre-proline 0 CA--C 1.552 1.027 0 CA-C-N 113.636 -1.62 . . . . 0.0 110.618 -165.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . 0.4 ' HB2' ' H ' ' S' ' 74' ' ' LYS . 72.5 Cg_endo -76.97 -144.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.335 0 N-CA-C 109.289 -1.081 . . . . 0.0 109.289 176.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . 0.4 ' H ' ' HB2' ' S' ' 73' ' ' PRO . 0.0 OUTLIER -173.64 121.03 0.32 Allowed 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -170.044 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.427 HD13 ' H ' ' S' ' 76' ' ' LYS . 0.2 OUTLIER 73.69 146.0 0.08 Allowed 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.508 1.755 . . . . 0.0 109.381 -176.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . 0.427 ' H ' HD13 ' S' ' 75' ' ' LEU . 12.7 tptp . . . . . 0 CA--C 1.543 0.676 0 CA-C-N 112.562 -2.108 . . . . 0.0 111.116 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 1' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 C--O 1.222 -0.377 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -171.8 -28.8 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 O-C-N 125.97 2.044 . . . . 0.0 111.897 -170.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -147.41 -169.72 3.38 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 110.958 -2.837 . . . . 0.0 103.788 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 4' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' S' ' 6' ' ' ALA . 0.3 OUTLIER -161.91 95.07 0.96 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.829 1.956 . . . . 0.0 106.139 -169.469 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.48 23.34 0.31 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.688 -178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 6' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' S' ' 4' ' ' ASN . . . 56.55 24.68 8.97 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tptp 46.23 36.19 3.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 112.875 -1.966 . . . . 0.0 112.626 -171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 74.94 83.34 0.1 Allowed 'General case' 0 C--N 1.353 0.729 0 O-C-N 125.627 1.83 . . . . 0.0 109.935 -175.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -160.61 -108.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.372 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -36.7 67.6 Favored 'General case' 0 C--O 1.217 -0.628 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.042 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.47 -48.97 77.29 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 118.643 -1.223 . . . . 0.0 111.81 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -38.11 89.9 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 119.023 -1.071 . . . . 0.0 110.403 -168.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 13' ' ' MET . . . . . . . . . . . . . 48.8 mmm -79.95 -34.12 39.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.845 -1.979 . . . . 0.0 111.864 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 14' ' ' ASP . . . . . 0.505 ' O ' HG23 ' S' ' 18' ' ' VAL . 9.0 t70 -54.05 -42.9 69.75 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.606 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -52.25 -42.24 63.47 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.456 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 16' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' S' ' 19' ' ' ASP . 16.8 t -66.05 -45.15 91.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.17 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 17' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -50.03 -48.78 52.55 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-O 122.21 1.005 . . . . 0.0 111.559 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 18' ' ' VAL . . . . . 0.505 HG23 ' O ' ' S' ' 14' ' ' ASP . 3.8 t -63.37 -30.4 49.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.133 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 19' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' S' ' 16' ' ' VAL . 45.1 t0 -55.23 -51.68 65.82 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.175 173.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -58.14 -50.73 72.5 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.259 -177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.9 67.98 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.099 -1.409 . . . . 0.0 111.774 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' CE1' ' S' ' 59' ' ' HIS . . . -63.04 -32.48 73.85 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 113.397 -1.728 . . . . 0.0 111.285 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.28 -30.05 65.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 119.292 -0.963 . . . . 0.0 110.636 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.56 -25.19 54.86 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-N 114.486 -1.234 . . . . 0.0 112.92 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 25' ' ' VAL . . . . . 0.788 HG22 HG21 ' S' ' 40' ' ' VAL . 3.3 t -73.05 -30.38 31.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.083 0.944 . . . . 0.0 110.54 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.09 -19.68 64.88 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.141 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 27' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -62.77 -6.96 4.13 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 113.25 -1.795 . . . . 0.0 111.768 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 28' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' S' ' 29' ' ' GLU . 22.3 ttpp -50.87 -34.32 27.63 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.075 0.464 . . . . 0.0 112.19 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 29' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' S' ' 28' ' ' LYS . 0.0 OUTLIER -68.26 -32.19 72.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 116.958 -1.897 . . . . 0.0 111.148 177.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -88.42 18.28 4.63 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.897 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 31' ' ' TYR . . . . . 0.486 ' CD1' HG12 ' S' ' 35' ' ' VAL . 23.0 t80 -67.06 10.64 0.14 Allowed 'General case' 0 CA--C 1.558 1.254 0 CA-C-O 122.19 0.995 . . . . 0.0 113.383 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 32' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.02 -19.48 65.22 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.116 163.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 5.3 mmm -113.02 172.56 3.44 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 113.859 -1.519 . . . . 0.0 107.727 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 34' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -55.34 127.96 28.46 Favored 'Trans proline' 0 C--N 1.364 1.36 0 C-N-CA 121.691 1.594 . . . . 0.0 115.086 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 35' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' S' ' 31' ' ' TYR . 0.5 OUTLIER -137.98 148.32 25.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.145 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 36' ' ' ILE . . . . . 0.492 HG22 ' H ' ' S' ' 39' ' ' ALA . 4.1 mt -133.23 85.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-O 122.786 1.279 . . . . 0.0 109.508 176.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.57 -19.43 62.16 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 112.447 -2.161 . . . . 0.0 113.229 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.69 -47.75 21.05 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.47 174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 39' ' ' ALA . . . . . 0.492 ' H ' HG22 ' S' ' 36' ' ' ILE . . . -60.22 -44.08 95.46 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.245 -164.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 40' ' ' VAL . . . . . 0.788 HG21 HG22 ' S' ' 25' ' ' VAL . 20.5 m -51.1 -39.59 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 CA-C-N 112.966 -1.925 . . . . 0.0 113.082 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 41' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -77.55 -15.96 58.94 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.34 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -28.02 14.55 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 124.4 1.062 . . . . 0.0 110.277 174.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 43' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -74.87 -28.16 60.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.057 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.09 137.58 89.53 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.139 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.04 117.57 5.18 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 120.99 1.127 . . . . 0.0 110.941 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -58.51 -25.42 62.38 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.256 -1.338 . . . . 0.0 111.784 -173.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 47' ' ' HIS . . . . . 0.564 ' HB2' HD23 ' S' ' 48' ' ' LEU . 9.7 m80 -50.94 -20.25 1.28 Allowed 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 112.704 -2.043 . . . . 0.0 113.522 177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 48' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' S' ' 47' ' ' HIS . 0.3 OUTLIER -146.72 58.23 1.18 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.361 -179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -40.23 60.43 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.146 172.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -54.66 -44.12 73.0 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.988 -1.914 . . . . 0.0 111.147 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 51' ' ' TRP . . . . . 0.423 ' HB3' HD12 ' S' ' 48' ' ' LEU . 73.8 t-105 -58.81 -44.07 90.71 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.518 -1.219 . . . . 0.0 111.063 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 52' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -56.85 -47.01 81.36 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.503 178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 53' ' ' ARG . . . . . 0.414 ' O ' HD12 ' S' ' 57' ' ' ILE . 0.0 OUTLIER -64.24 -50.96 65.94 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 112.948 -1.933 . . . . 0.0 111.415 -175.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -57.45 -49.03 77.56 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.461 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.542 HH21 ' CD2' ' S' ' 59' ' ' HIS . 6.6 mmm180 -58.88 -35.5 73.09 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 113.173 -1.83 . . . . 0.0 111.612 177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.9 -45.18 64.09 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.503 -0.879 . . . . 0.0 112.066 178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 57' ' ' ILE . . . . . 0.414 HD12 ' O ' ' S' ' 53' ' ' ARG . 3.3 mp -60.82 -45.27 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 119.069 -1.053 . . . . 0.0 110.748 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -38.2 75.58 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.017 -1.447 . . . . 0.0 111.298 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 59' ' ' HIS . . . . . 0.542 ' CD2' HH21 ' S' ' 55' ' ' ARG . 28.7 m170 -74.73 -30.41 61.49 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 112.936 -1.938 . . . . 0.0 111.238 -173.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 60' ' ' ARG . . . . . 0.41 ' O ' HG22 ' S' ' 64' ' ' VAL . 22.4 mmm-85 -60.38 -49.3 78.15 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 124.885 1.365 . . . . 0.0 109.015 173.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -51.24 66.76 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.552 176.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.31 74.28 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.402 -1.272 . . . . 0.0 112.004 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 63' ' ' SER . . . . . . . . . . . . . 14.9 t -57.69 -59.26 5.47 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.811 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 64' ' ' VAL . . . . . 0.41 HG22 ' O ' ' S' ' 60' ' ' ARG . 0.0 OUTLIER -64.99 -29.01 46.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 118.662 -1.215 . . . . 0.0 111.283 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 65' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' S' ' 67' ' ' SER . 57.7 t30 -65.74 -24.85 67.05 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.361 -178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 66' ' ' LEU . . . . . . . . . . . . . 92.1 mt 43.29 -75.98 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 0 C-N-CA 126.492 1.917 . . . . 0.0 114.988 172.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 67' ' ' SER . . . . . 0.431 ' N ' ' O ' ' S' ' 65' ' ' ASN . 46.5 t -40.23 -37.73 0.68 Allowed 'General case' 0 C--N 1.349 0.56 0 C-N-CA 127.009 2.124 . . . . 0.0 111.759 169.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 64.65 4.29 2.27 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 113.456 -1.702 . . . . 0.0 113.65 172.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 36.5 mt 46.87 85.84 0.16 Allowed Pre-proline 0 CA--C 1.549 0.904 0 O-C-N 124.771 1.294 . . . . 0.0 111.458 -169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 70' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.34 -166.64 0.36 Allowed 'Trans proline' 0 C--N 1.363 1.297 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 -177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.66 125.84 25.6 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 118.224 -1.39 . . . . 0.0 108.339 170.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 72' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -124.89 138.34 31.25 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.161 174.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 73' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.93 148.0 21.74 Favored 'Trans proline' 0 C--N 1.361 1.236 0 C-N-CA 122.051 1.834 . . . . 0.0 110.188 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . 0.261 0.0 OUTLIER 59.88 -174.15 0.11 Allowed 'General case' 0 C--N 1.35 0.629 0 O-C-N 125.631 1.832 . . . . 0.0 110.536 -178.088 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.81 -161.49 0.84 Allowed 'General case' 0 C--N 1.346 0.422 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.465 0 O-C-N 125.346 1.654 . . . . 0.0 107.696 172.875 . . . . . . . . 1 1 . 1 stop_ save_