data_2jrp_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 2jrp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.77 114.01 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.23 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -138.21 154.64 49.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.926 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 37.1 t -65.82 137.08 95.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.803 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 22.6 Cg_exo -66.17 -3.82 9.29 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.973 2.448 . . . . 0.0 112.149 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -110.11 -61.24 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' SG ' ' OG1' ' A' ' 23' ' ' THR . 22.4 p -107.02 95.19 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.453 0.644 . . . . 0.0 110.876 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -70.02 84.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -116.89 -83.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.13 124.74 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.96 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.1 130.59 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.34 134.19 38.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 0.0 110.589 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -99.07 128.14 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.225 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -108.1 -0.03 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.905 0.859 . . . . 0.0 109.488 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 98.6 135.23 8.75 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 6.3 t70 69.05 -60.05 0.46 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.966 0.383 . . . . 0.0 111.04 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 27' ' ' ASP . 59.0 m -120.69 145.05 47.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 0.0 111.279 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.16 133.29 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.5 130.85 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 111.11 -174.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 42.7 t -89.86 117.91 29.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.339 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -96.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.893 0.877 . . . . 0.0 112.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.405 ' OG1' ' SG ' ' A' ' 8' ' ' CYS . 44.0 p -62.65 142.86 57.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' THR . 73.0 m 102.4 -30.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.63 1.831 . . . . 0.0 110.059 -173.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.84 31.75 20.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.324 0.583 . . . . 0.0 111.119 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -101.51 143.11 31.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.364 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 18' ' ' THR . 12.5 m-20 -111.06 125.04 53.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 21' ' ' CYS . 97.6 m-85 -102.32 105.92 16.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.46 125.59 31.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.1 mp -104.26 137.46 42.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.024 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -111.14 142.31 43.49 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -85.85 107.93 17.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.545 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 38' ' ' ARG . 9.4 mp -112.63 158.46 19.97 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.934 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.93 151.57 37.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.13 -18.99 26.73 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.533 2.155 . . . . 0.0 112.177 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.06 -43.29 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.139 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.25 97.99 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.35 0.595 . . . . 0.0 110.092 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HG3' HD21 ' A' ' 33' ' ' LEU . 10.3 ttm180 -83.76 82.49 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.356 0.598 . . . . 0.0 110.654 -175.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' H ' ' A' ' 41' ' ' LEU . 27.5 mt-30 -144.07 175.32 2.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.856 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' A' ' 52' ' ' TYR . 23.7 Cg_exo -66.71 5.38 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.222 1.948 . . . . 0.0 111.544 168.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 50.8 mt 63.71 -84.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.845 0.858 . . . . 0.0 111.467 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.01 128.7 3.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG13 ' HG3' ' A' ' 45' ' ' LYS . 51.0 t -83.38 102.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.199 0.523 . . . . 0.0 111.368 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 53' ' ' PHE . 31.2 mt -94.06 119.46 32.96 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 30.8 mtpp -120.86 137.39 54.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.023 0.44 . . . . 0.0 110.905 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.26 114.48 8.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.4 m 58.6 28.55 17.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.56 -38.76 3.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.305 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -59.69 148.66 33.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.578 0.228 . . . . 0.0 110.645 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.65 139.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.141 0.496 . . . . 0.0 111.504 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -136.88 140.19 42.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 75.9 m-85 -99.59 109.31 21.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.251 0.548 . . . . 0.0 109.833 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 21.4 t80 -146.04 106.98 4.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.058 -171.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 20.5 p -78.42 91.74 4.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.655 0.264 . . . . 0.0 110.59 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.54 -84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.426 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -92.92 -17.89 23.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 0.0 110.285 -175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.83 -4.99 63.46 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.945 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.0 t-80 -165.81 -62.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.0 138.05 2.84 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 60' ' ' LEU . 2.5 pt? -73.88 156.8 37.32 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.08 0.518 . . . . 0.0 111.624 -173.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' HB ' HG21 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -128.12 151.43 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.9 t -66.57 133.15 49.73 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HA ' HG23 ' A' ' 66' ' ' VAL . 29.0 mtpp -66.44 -7.93 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.171 0.51 . . . . 0.0 110.82 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -78.61 -16.7 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.311 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -121.59 10.29 10.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.212 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG21 ' HB ' ' A' ' 61' ' ' ILE . 60.2 t -84.36 139.79 17.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.46 95.31 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.93 100.06 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.981 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 p -105.23 142.41 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.596 HG12 ' HG ' ' A' ' 30' ' ' LEU . 59.5 mt -80.26 97.12 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.307 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 110.965 179.554 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 3' ' ' ILE . 4.1 mp -80.78 102.43 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -77.79 121.75 24.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.265 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.9 t -67.68 125.85 91.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.735 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.92 -24.04 46.48 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.51 -65.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 25.8 p -83.86 -5.81 59.29 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.482 -175.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 53.76 50.72 16.4 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.252 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.516 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -139.24 159.88 41.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.809 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.52 124.41 23.51 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.557 0.535 . . . . 0.0 110.249 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 5' ' ' CYS . 82.3 mt -72.35 153.07 41.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.997 0.427 . . . . 0.0 110.593 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.09 105.38 16.09 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.476 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.528 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 8.0 ppt_? -84.93 137.01 33.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.356 0.598 . . . . 0.0 111.612 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -97.81 -27.99 14.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.443 -0.798 . . . . 0.0 108.922 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.93 -80.02 0.21 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.851 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -82.87 -14.52 54.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.357 0.598 . . . . 0.0 110.265 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 m -129.9 143.94 51.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.3 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 28' ' ' PHE . . . -111.2 108.22 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -87.13 121.89 30.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.032 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.08 125.8 29.88 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.796 0.808 . . . . 0.0 110.393 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -5.43 40.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.943 -1.48 . . . . 0.0 112.467 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -56.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.89 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 14.1 m -78.63 -2.0 36.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.141 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.22 21.24 10.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.807 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -103.64 145.26 30.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.734 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -109.61 129.47 55.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 83.2 m-85 -108.91 154.16 22.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -87.39 128.28 35.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.649 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.0 mt -113.54 143.4 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.786 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -135.99 131.75 35.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.633 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.38 98.52 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.5 mt -98.62 152.88 19.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.131 0.491 . . . . 0.0 111.069 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 49.2 t -96.74 133.39 24.54 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -45.98 -41.45 20.76 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.89 3.06 . . . . 0.0 113.039 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 11.1 p-10 -85.99 -99.15 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 6.5 p -54.42 108.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.352 0.661 . . . . 0.0 111.625 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -105.03 20.44 18.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.48 . . . . 0.0 110.347 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.694 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 23.5 mt-30 -128.45 -62.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.13 -173.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.694 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 93.8 Cg_endo -81.1 40.66 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.337 2.025 . . . . 0.0 114.162 -168.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 136.42 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.481 HE22 ' HB3' ' A' ' 55' ' ' GLN . 22.4 mt-30 -71.2 137.6 48.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.131 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.71 89.04 2.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.32 96.91 6.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.351 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -91.07 103.43 16.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.843 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.4 -175.3 3.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m -68.83 -34.63 75.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.4 2.88 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.108 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.16 -173.55 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.642 0.258 . . . . 0.0 110.425 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 m -102.99 101.08 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 109.781 174.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -95.39 122.13 37.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 50.2 m-85 -86.35 96.65 10.06 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.0 t80 -144.66 123.14 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.588 -160.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 61.6 m -72.34 88.66 1.19 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HB3' HE22 ' A' ' 42' ' ' GLN . 56.1 tt0 -88.68 -21.79 23.73 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.4 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -134.81 169.91 16.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.387 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.94 -68.66 3.03 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.385 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -95.27 -76.19 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.338 . . . . 0.0 110.239 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.71 144.46 3.92 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 60' ' ' LEU . 1.8 pt? -61.42 106.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.544 0.687 . . . . 0.0 111.513 -174.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -85.1 131.69 33.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.147 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -54.26 143.49 22.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.679 0.276 . . . . 0.0 110.533 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 66' ' ' VAL . 89.1 mttt -70.58 -5.36 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.211 0.529 . . . . 0.0 110.731 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -90.31 -17.26 27.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.85 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 12.6 mmm180 -106.34 -21.16 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.948 -177.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 63' ' ' LYS . 29.4 m -65.54 140.14 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -92.81 93.4 8.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.986 0.422 . . . . 0.0 111.24 -174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -74.52 97.17 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.81 163.55 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.9 mt -85.3 80.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.286 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.389 179.484 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.438 HG22 HD12 ' A' ' 12' ' ' LEU . 57.5 mt -68.97 -58.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m 69.61 125.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.132 -1.394 . . . . 0.0 113.199 168.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 19.7 t -76.29 119.37 77.01 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 173.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -50.48 -46.95 26.76 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.419 2.746 . . . . 0.0 113.458 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -86.8 15.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.437 . . . . 0.0 111.834 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 71.9 m -127.9 -34.89 2.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.62 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m170 63.83 25.44 14.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.409 0.623 . . . . 0.0 109.891 -173.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.48 160.69 31.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.758 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.08 149.4 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 5' ' ' CYS . 22.9 mt -111.35 113.47 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.191 172.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.19 106.31 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.312 0.577 . . . . 0.0 110.792 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 38.5 ttp-105 -76.95 113.53 14.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.931 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 16.59 26.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 110.144 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.93 -82.81 1.1 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.069 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -29.45 69.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.536 0.684 . . . . 0.0 110.698 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.09 158.88 43.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.723 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 28' ' ' PHE . . . -111.03 114.47 27.79 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -97.26 120.3 37.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.622 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 24' ' ' CYS . 11.9 t -79.28 144.8 33.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 109.952 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -34.59 17.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.989 0.9 . . . . 0.0 109.467 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 19.5 p -94.97 85.1 4.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.94 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 23' ' ' THR . 12.9 p 98.18 124.43 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.29 1.436 . . . . 0.0 108.745 -167.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.52 40.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.871 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 24' ' ' CYS . 65.9 tttp -91.39 124.42 35.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.695 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.73 133.98 43.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.371 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HB3' HG23 ' A' ' 70' ' ' ILE . 95.0 m-85 -110.1 102.87 11.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -57.19 124.54 19.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.58 176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' CD1' ' HG3' ' A' ' 14' ' ' ARG . 97.2 mt -101.97 128.69 48.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.119 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 85.8 mt-30 -119.39 127.05 52.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.02 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -84.84 116.86 23.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.94 162.77 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.126 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 88.0 m -99.01 161.36 25.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.773 0.321 . . . . 0.0 110.598 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.59 -35.64 89.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.556 2.171 . . . . 0.0 111.625 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.84 -27.58 14.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.52 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 25.6 m -100.94 101.61 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.664 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.62 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.705 0.764 . . . . 0.0 108.99 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -88.26 142.93 31.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.601 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.38 120.99 7.02 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.675 2.25 . . . . 0.0 111.602 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 11.6 mt -70.21 -173.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.084 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.49 132.86 42.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.722 HG12 HG13 ' A' ' 50' ' ' VAL . 89.3 t -76.64 104.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.697 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 37.9 mt -105.64 153.65 21.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.427 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -108.81 124.2 50.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.045 0.45 . . . . 0.0 111.581 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.44 95.51 4.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.428 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m 64.62 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.273 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.57 6.1 4.52 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 145.31 26.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.534 0.206 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.722 HG13 HG12 ' A' ' 43' ' ' VAL . 71.8 t -90.41 112.15 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.0 118.06 35.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.032 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 41' ' ' LEU . 88.7 m-85 -88.31 114.11 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.26 0.552 . . . . 0.0 109.901 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 31.1 t80 -150.2 97.33 2.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' SG ' HD23 ' A' ' 41' ' ' LEU . 3.1 p -78.56 88.58 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.274 0.559 . . . . 0.0 112.271 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -69.35 -22.72 63.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.668 174.011 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.93 126.34 52.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.122 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.25 16.09 63.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.202 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -170.39 -70.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . 135.21 -97.17 0.28 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.096 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 pp -153.46 149.49 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 61' ' ' ILE . 2.7 mp -128.94 138.8 53.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' VAL . 44.3 t -61.12 125.99 25.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 66' ' ' VAL . 25.3 mmtp -65.33 -10.13 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -85.54 -21.01 28.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.161 0.505 . . . . 0.0 110.388 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.16 12.18 20.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.541 HG21 ' HD3' ' A' ' 63' ' ' LYS . 98.2 t -77.74 137.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.857 177.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.3 67.5 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 7.8 p90 -84.59 118.69 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.3 m -124.6 174.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.203 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 28' ' ' PHE . 84.3 mt -82.1 111.95 19.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.64 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.721 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 12' ' ' LEU . 22.2 mt -68.19 109.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.163 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 p -131.34 144.07 50.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HB2' HD22 ' A' ' 12' ' ' LEU . 36.8 t -79.65 135.35 56.46 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 57.1 Cg_endo -70.7 -5.33 16.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.189 2.593 . . . . 0.0 113.857 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.88 -48.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.294 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.66 94.98 5.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -60.27 87.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.475 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -147.6 156.02 42.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 131.39 44.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 21' ' ' CYS . 28.3 mt -88.78 155.9 19.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.509 . . . . 0.0 111.435 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.46 96.08 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -72.31 135.67 46.01 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.301 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -138.88 90.6 2.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.688 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.0 -114.62 6.96 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.07 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.12 -24.6 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.407 0.622 . . . . 0.0 110.808 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -108.4 151.23 26.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.317 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -112.45 109.23 18.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.59 172.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -83.07 119.91 25.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.593 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HA ' HD21 ' A' ' 12' ' ' LEU . 21.8 t -78.88 135.6 37.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.99 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -64.4 -89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.747 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.518 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 63.8 p -67.96 146.19 53.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 23' ' ' THR . 19.0 p 54.16 93.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.134 0.896 . . . . 0.0 110.276 -169.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.31 100.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.817 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 mttp -142.86 119.22 10.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.461 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-10 -103.85 126.02 50.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.662 . . . . 0.0 110.048 173.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.497 ' HB3' HG21 ' A' ' 70' ' ' ILE . 46.6 m-85 -106.62 134.98 48.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.567 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -74.27 125.29 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 19' ' ' ALA . 83.3 mt -100.1 120.31 39.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 73.9 mt-30 -111.58 146.61 37.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.914 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -88.3 120.78 29.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.34 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 33' ' ' LEU . 4.3 mm? -106.52 140.71 38.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.658 ' SG ' HD13 ' A' ' 41' ' ' LEU . 28.4 p -101.13 138.74 20.05 Favored Pre-proline 0 N--CA 1.448 -0.552 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.59 -25.31 74.17 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.833 3.022 . . . . 0.0 114.036 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.78 30.58 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.231 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -91.01 -50.03 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.163 -0.336 . . . . 0.0 111.479 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 60.79 21.26 11.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.349 0.595 . . . . 0.0 110.801 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 44.4 mt-30 -131.28 157.62 77.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 1.5 Cg_endo -43.66 110.57 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.471 2.781 . . . . 0.0 113.811 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.658 HD13 ' SG ' ' A' ' 34' ' ' CYS . 10.0 mp -73.12 148.74 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 172.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 96.4 mt-30 -60.27 116.54 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 111.21 -175.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 2.6 p -71.2 109.58 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.591 0.71 . . . . 0.0 110.536 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 55' ' ' GLN . 59.8 mt -121.25 110.66 16.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.31 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -92.6 89.56 6.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.48 85.83 5.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m 66.3 -83.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.654 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.5 7.67 12.31 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.247 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.39 138.9 54.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.98 114.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' ' HD2' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -121.77 160.05 25.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.178 -176.402 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 53.1 m-85 -140.18 97.49 3.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.866 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.532 ' HA ' HD21 ' A' ' 41' ' ' LEU . 47.7 p90 -155.51 151.36 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.103 0.478 . . . . 0.0 111.57 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 58' ' ' HIS . 9.0 m -72.16 88.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.047 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.548 ' HB2' HD11 ' A' ' 44' ' ' LEU . 63.3 tt0 -61.03 -45.91 92.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -123.45 149.29 45.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.965 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -25.89 26.67 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.054 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 14.9 t-160 -138.46 -63.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.08 152.93 7.24 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.84 135.69 51.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.203 0.525 . . . . 0.0 110.916 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -103.83 140.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 65' ' ' ARG . 7.1 m -50.06 124.45 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.515 0.509 . . . . 0.0 110.839 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 85.4 tttt -64.26 -25.01 67.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.921 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.97 1.53 52.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.175 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 72.1 ttt180 -116.02 -23.54 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 32' ' ' ALA . 27.0 m -64.49 156.73 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.703 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -108.65 105.42 15.02 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.776 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 26.0 m-85 -81.27 110.21 16.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 177.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.16 174.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 28' ' ' PHE . 78.0 mt -76.79 114.26 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.882 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -177.553 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.507 -0.182 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -69.06 107.73 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.54 134.74 48.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.688 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -69.82 132.55 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 28.2 Cg_exo -61.72 -73.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.109 2.539 . . . . 0.0 113.668 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.26 -28.56 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -96.63 36.99 1.31 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.661 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -42.98 96.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.445 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' HG23 ' A' ' 23' ' ' THR . 16.3 t-80 -178.81 65.1 0.01 OUTLIER 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.687 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.01 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 mt -111.26 164.59 12.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.423 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 42.5 tt0 -118.08 110.75 18.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 14' ' ' ARG . 18.9 ptt85 -77.91 128.54 34.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 0.0 111.19 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.54 -16.03 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.066 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.49 -73.68 0.4 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.43 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -88.95 -21.89 23.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.509 . . . . 0.0 110.149 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -127.22 165.14 20.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 28' ' ' PHE . . . -110.98 151.73 27.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -142.16 135.1 28.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.864 0.364 . . . . 0.0 111.008 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.691 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 36.3 m -79.33 112.89 17.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.472 . . . . 0.0 109.803 172.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 4.6 pm0 -86.7 -14.02 43.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.157 0.98 . . . . 0.0 109.449 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 10' ' ' HIS . 11.9 m -93.1 -10.34 36.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.814 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -153.61 -171.57 3.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.85 -167.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.63 68.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.55 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 28.5 mtpp -137.96 135.1 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.11 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -120.79 136.03 55.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' HB3' HG22 ' A' ' 70' ' ' ILE . 61.3 m-85 -116.86 125.36 51.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 111.623 -174.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -76.28 122.26 24.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.673 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.32 125.43 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.156 0.503 . . . . 0.0 111.096 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -111.62 99.71 8.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.161 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.36 98.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.913 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -105.44 148.16 27.47 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.199 0.523 . . . . 0.0 110.987 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' A' ' 41' ' ' LEU . 11.0 p -96.75 110.03 51.39 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.069 176.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.05 -36.27 92.37 Favored 'Trans proline' 0 N--CA 1.473 0.29 0 C-N-CA 123.941 3.094 . . . . 0.0 113.588 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.58 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 27.6 p -84.64 84.45 7.67 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -81.97 89.79 6.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.62 0.724 . . . . 0.0 111.194 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.697 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.8 mt-30 -148.08 158.64 41.47 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.36 117.23 1.88 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.653 HD13 ' SG ' ' A' ' 34' ' ' CYS . 8.8 mp -76.35 176.14 8.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.79 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.56 122.77 30.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.7 t -78.43 99.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.633 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -89.01 89.72 8.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.206 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 50' ' ' VAL . 11.5 pttt -86.09 100.34 12.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 83.61 8.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 m 63.96 24.27 13.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.565 175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.92 -65.47 0.38 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.945 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.77 145.81 30.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.547 0.213 . . . . 0.0 110.816 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' A' ' 45' ' ' LYS . 35.8 m -97.17 148.9 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.087 0.47 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -144.48 130.31 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 54.1 m-85 -93.72 114.51 26.82 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -149.27 129.6 13.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.952 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 59.1 m -71.79 88.67 1.02 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.84 -50.39 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -107.67 -53.21 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.236 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 54' ' ' CYS . . . -91.85 169.25 32.26 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.103 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.697 ' CE1' ' HB2' ' A' ' 39' ' ' GLN . 11.9 m170 71.07 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.28 0.632 . . . . 0.0 111.248 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 148.05 120.22 1.13 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.711 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.3 pt? -59.95 103.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 111.122 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.3 mm -83.44 132.93 30.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 m -49.85 136.69 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.4 0.438 . . . . 0.0 110.228 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HA ' HG21 ' A' ' 66' ' ' VAL . 42.0 tttp -64.27 -19.17 65.22 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -171.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.13 -16.1 59.95 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -104.08 -4.38 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -76.64 125.87 36.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.759 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.35 100.96 12.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.314 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -72.86 100.2 2.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.647 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.99 126.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 28' ' ' PHE . 73.7 mt -73.21 96.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -174.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -73.6 113.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 63.8 p -116.86 137.67 52.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.734 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 40.9 t -66.68 131.97 94.06 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.48 -25.71 75.05 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.245 2.63 . . . . 0.0 113.559 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 ' SG ' ' A' ' 5' ' ' CYS . 7.1 p -101.21 -1.5 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.334 0.588 . . . . 0.0 110.76 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.734 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 58.5 m -112.12 -39.49 4.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.4 m80 60.15 20.33 9.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.696 0.76 . . . . 0.0 109.7 -170.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 25.4 m80 -107.02 145.72 31.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.368 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.64 131.15 41.35 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.305 0.378 . . . . 0.0 110.075 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 21' ' ' CYS . 30.7 mt -85.13 142.1 29.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.461 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.22 124.38 25.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.663 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' THR . 47.7 ttt180 -104.54 98.5 8.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.374 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.94 -87.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.89 57.63 0.92 Allowed Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 14' ' ' ARG . 2.7 t0 61.47 17.53 8.54 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 122.055 0.931 . . . . 0.0 110.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 6.4 m -108.25 140.54 41.34 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 12' ' ' LEU . . . -111.23 105.76 14.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 111.791 -170.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -83.47 126.2 32.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.701 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' HA ' HD23 ' A' ' 12' ' ' LEU . 41.8 t -78.98 132.74 36.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.959 0.409 . . . . 0.0 110.769 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -38.36 88.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.041 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -108.99 -33.07 7.02 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -83.39 -9.39 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.509 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 58.23 31.54 20.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.548 0.69 . . . . 0.0 110.666 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -126.05 119.44 27.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.675 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.16 143.18 30.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.283 0.563 . . . . 0.0 110.459 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -105.39 127.91 53.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.678 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -83.38 120.62 26.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.7 mt -100.44 147.33 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.955 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -117.08 124.35 49.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.296 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -72.91 118.05 15.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.371 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.99 162.83 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 64.9 m -96.59 125.03 48.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.38 -17.3 27.29 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 121.969 1.78 . . . . 0.0 110.928 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' OD1' ' HB3' ' A' ' 34' ' ' CYS . 6.0 p-10 -91.59 -16.85 26.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 2.3 p -164.8 91.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.484 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -80.87 76.14 7.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.396 0.617 . . . . 0.0 111.922 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB2' ' HE2' ' A' ' 58' ' ' HIS . 81.1 mm-40 -141.99 165.85 25.19 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.2 123.51 10.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.173 1.915 . . . . 0.0 112.235 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 9.9 mt -80.54 -179.62 7.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.286 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.41 116.77 23.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 t -76.77 103.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.206 0.526 . . . . 0.0 110.483 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.2 104.16 16.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 3.6 ttmp? -90.79 119.44 31.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.57 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.97 -94.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.882 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.14 -68.66 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.47 30.23 6.31 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.19 161.39 30.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.106 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 143.21 34.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.115 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -131.36 167.63 18.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 41' ' ' LEU . 93.7 m-85 -123.22 106.87 11.11 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.04 135.81 18.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.407 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.738 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 23.8 m -78.66 107.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.156 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -81.81 -51.38 8.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -148.47 144.85 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.328 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.76 44.21 7.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.876 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.738 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 3.2 t-80 -169.94 -65.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.068 0.434 . . . . 0.0 110.077 175.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.09 100.74 0.39 Allowed Glycine 0 C--O 1.24 0.527 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.63 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.54 150.14 36.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.167 0.508 . . . . 0.0 111.45 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.461 HD11 ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -128.78 162.99 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 m -71.27 114.73 9.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 8.1 ptmm? -74.17 1.01 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -167.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -24.54 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.53 . . . . 0.0 109.94 169.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 73.0 ttt180 -116.45 29.16 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.712 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 42.4 t -66.95 143.58 15.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.39 83.09 6.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 84.2 m-85 -76.5 103.64 6.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.224 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.26 153.17 7.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.24 123.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.954 -173.548 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.519 0.2 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.526 ' H ' HD11 ' A' ' 3' ' ' ILE . 4.4 mp -71.56 142.01 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.444 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 3.5 p -122.56 136.06 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 111.36 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 52.0 t -64.72 139.63 97.82 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 49.9 Cg_exo -56.79 -30.98 86.92 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.229 2.619 . . . . 0.0 113.269 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.28 -54.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 0.0 110.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' SG ' ' OG1' ' A' ' 23' ' ' THR . 0.7 OUTLIER -107.47 84.5 1.98 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.317 178.006 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.444 ' HA ' ' HB ' ' A' ' 4' ' ' THR . 43.8 m80 -70.36 77.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 172.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -123.83 -71.42 0.72 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.255 -175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.92 141.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.503 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 3' ' ' ILE . 49.7 mt -112.0 146.19 38.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 177.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 17.7 mt-10 -87.64 87.78 7.48 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.746 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -84.72 104.98 15.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.008 0.432 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.69 24.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.97 -97.01 0.59 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -105.01 14.01 30.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.512 0.672 . . . . 0.0 110.406 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 m -141.43 133.73 28.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.977 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.79 125.37 52.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.654 0.264 . . . . 0.0 111.017 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' HD2' ' OE2' ' A' ' 13' ' ' GLU . 59.5 t60 -102.06 140.59 36.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.47 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 23' ' ' THR . 2.4 t -114.42 113.07 24.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.1 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.25 -44.1 72.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.617 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.493 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 38.7 p -66.26 118.45 9.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 23' ' ' THR . 25.4 p 51.54 93.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.486 0.66 . . . . 0.0 110.59 -171.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 93.99 0.01 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.193 -176.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -141.82 130.47 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.396 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.88 128.22 55.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -107.02 128.3 54.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.78 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -78.95 122.97 26.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 88.0 mt -100.73 139.42 36.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.42 -175.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -111.43 124.67 52.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.78 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -68.85 112.94 5.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 HG13 ' A' ' 69' ' ' VAL . 1.9 tp -123.18 155.48 36.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 6.1 m -97.51 141.83 23.62 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 175.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.36 -25.68 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.446 2.097 . . . . 0.0 110.213 168.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 2.9 p-10 -79.15 -84.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.806 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 5.9 p -85.63 99.72 11.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.411 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -83.64 70.93 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.757 0.789 . . . . 0.0 110.258 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.469 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 26.1 mt-30 -143.95 175.01 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.301 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 33.8 Cg_exo -61.66 3.37 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.75 2.3 . . . . 0.0 114.017 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD22 ' SG ' ' A' ' 54' ' ' CYS . 52.1 mt 63.16 -89.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.137 0.575 . . . . 0.0 111.284 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -164.31 119.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.46 118.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 53' ' ' PHE . 97.9 mt -122.42 139.21 54.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.679 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.6 148.91 22.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 47' ' ' CYS . . . 73.75 -154.46 0.06 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 124.127 0.892 . . . . 0.0 109.061 -170.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 37.8 t 69.74 -59.98 0.49 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 -173.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.3 -48.5 0.18 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.19 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -121.43 98.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' CG ' ' HZ3' ' A' ' 63' ' ' LYS . 22.7 t0 -104.58 159.03 16.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.773 -166.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.52 96.8 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 45.7 t80 -148.79 105.69 3.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.773 -165.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.448 ' SG ' HD22 ' A' ' 41' ' ' LEU . 9.7 p -89.42 88.54 7.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.976 -174.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -65.01 -43.57 92.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.975 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -110.58 173.19 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.545 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.12 -62.78 4.58 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -105.66 -75.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.9 135.93 2.27 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.071 -175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.645 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.8 pt? -62.81 133.42 54.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 ' HB ' HG21 ' A' ' 66' ' ' VAL . 1.6 mp -113.04 133.22 59.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 66' ' ' VAL . 17.7 m -59.27 137.28 58.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HZ3' ' CG ' ' A' ' 51' ' ' ASP . 38.7 mttt -69.15 2.78 2.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 112.183 -174.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 4.6 tmtm? -86.13 -20.78 28.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 172.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -112.33 -14.18 13.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.142 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 HG13 ' HB1' ' A' ' 32' ' ' ALA . 91.8 t -65.56 139.58 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -84.23 100.24 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.959 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 96.5 m-85 -84.85 107.22 16.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.368 . . . . 0.0 110.734 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG13 HD23 ' A' ' 33' ' ' LEU . 13.6 p -102.1 143.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.15 136.14 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.085 0.469 . . . . 0.0 110.399 177.104 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -74.62 89.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.581 0.705 . . . . 0.0 111.112 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.6 m -123.73 126.25 46.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.833 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.9 t -75.35 120.63 82.54 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.83 1.39 7.09 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.882 2.388 . . . . 0.0 112.924 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 t -94.28 -31.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.64 -8.32 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.311 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 t60 61.15 32.83 19.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.409 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.24 143.72 44.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 140.08 52.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.009 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 21' ' ' CYS . 72.1 mt -98.53 163.4 12.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.122 0.487 . . . . 0.0 111.798 -172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -95.58 130.03 42.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.731 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.8 110.01 22.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -121.61 87.38 2.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 0.0 109.866 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.22 -118.4 14.33 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.784 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.61 -10.08 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -125.98 135.39 51.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.26 0.552 . . . . 0.0 112.229 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -111.01 112.32 24.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 22' ' ' GLU . 71.4 t60 -91.08 129.86 37.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HA ' HD21 ' A' ' 12' ' ' LEU . 32.8 t -96.41 110.83 23.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 62.1 mm-40 -65.13 -74.81 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.201 0.313 . . . . 0.0 110.469 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -63.67 130.25 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 14.5 p 48.7 92.45 0.02 OUTLIER 'General case' 0 C--O 1.249 1.064 0 C-N-CA 123.304 0.642 . . . . 0.0 109.938 -166.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -60.96 116.89 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -151.45 123.6 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.396 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.79 112.15 24.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 0.0 110.149 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -99.35 121.34 40.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.664 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.68 17.89 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 25.7 mt -106.08 142.95 34.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.058 0.456 . . . . 0.0 111.544 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -137.6 133.5 34.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.489 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.15 120.76 18.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.683 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.4 159.33 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.244 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -96.72 115.56 65.73 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 -175.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' HB2' ' A' ' 67' ' ' ASN . 7.8 Cg_exo -72.64 60.15 3.45 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.789 2.326 . . . . 0.0 109.592 171.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.499 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t0 -168.39 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.561 -163.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -27.58 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' H ' ' HB3' ' A' ' 34' ' ' CYS . 54.3 ttt180 58.99 24.95 13.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.851 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 41' ' ' LEU . 77.6 mt-30 -74.75 166.27 46.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 170.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.0 -0.2 3.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.35 2.033 . . . . 0.0 111.865 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 34' ' ' CYS . 77.3 mt 64.68 -174.79 0.17 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.11 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.34 121.24 44.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.595 HG22 ' CE2' ' A' ' 52' ' ' TYR . 17.5 t -73.55 118.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.332 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 mt -111.5 97.82 7.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.406 0.622 . . . . 0.0 110.144 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.01 105.67 15.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.116 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.672 ' HB1' ' HB2' ' A' ' 49' ' ' ALA . . . -98.66 177.75 5.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.5 m -71.83 101.97 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.034 0.445 . . . . 0.0 110.303 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.41 77.34 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.491 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . . . -150.81 151.62 32.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.62 106.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.623 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -110.17 157.12 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' HG22 ' A' ' 43' ' ' VAL . 27.8 m-85 -130.38 103.95 6.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.03 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' HA ' HD13 ' A' ' 41' ' ' LEU . 29.3 p90 -160.91 149.31 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.3 0.571 . . . . 0.0 111.264 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.42 100.52 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.442 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.01 172.72 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.955 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.48 -57.22 5.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 2.9 t-160 -121.11 -73.12 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.0 162.64 10.06 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.597 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.25 136.73 15.05 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.389 0.676 . . . . 0.0 112.395 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.1 mp -112.17 140.36 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 171.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -53.86 116.15 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 16.6 ptpt -64.73 -9.21 18.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -167.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 7.8 mtpm? -77.63 -31.81 52.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.886 0.374 . . . . 0.0 110.544 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -105.46 2.07 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 88.8 t -68.45 134.27 30.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.525 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 54.1 t30 -83.91 95.77 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.693 -173.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -71.91 107.29 4.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.568 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.12 159.33 2.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.21 113.32 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.21 0.529 . . . . 0.0 110.036 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 t . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.973 -179.677 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.483 ' OE1' ' HA ' ' A' ' 11' ' ' ALA . 2.4 tm-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.512 ' HB ' HD11 ' A' ' 12' ' ' LEU . 36.6 mt -62.89 -54.64 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 110.456 -175.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 m 67.57 128.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.645 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HB2' HD22 ' A' ' 12' ' ' LEU . 52.0 t -74.95 112.79 19.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.14 -23.26 73.03 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.217 2.611 . . . . 0.0 113.514 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.68 7.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 111.685 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -131.63 -27.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.9 16.81 10.63 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.497 0.665 . . . . 0.0 109.963 -177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -95.81 158.96 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.266 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . . . -79.63 123.27 27.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.964 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD11 ' HB ' ' A' ' 3' ' ' ILE . 35.0 mt -68.77 118.45 11.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 111.176 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.28 95.64 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.151 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 17.5 ptt180 -99.94 149.04 23.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.451 0.643 . . . . 0.0 111.166 -174.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -88.4 -9.95 50.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.888 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.05 -59.58 0.67 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.54 -46.69 8.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.17 -0.515 . . . . 0.0 110.974 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.511 HG23 ' HA ' ' A' ' 29' ' ' SER . 1.1 p -108.42 156.16 19.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . . . -123.46 134.61 53.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -177.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.528 ' HD1' ' CG ' ' A' ' 27' ' ' ASP . 53.0 t60 -112.65 124.52 52.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.717 0.294 . . . . 0.0 110.679 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.1 t -92.92 115.32 28.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -30.24 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.534 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.08 58.49 2.17 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.379 0.609 . . . . 0.0 110.307 176.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 m -177.0 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.009 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.43 22.06 11.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.777 0.798 . . . . 0.0 109.49 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -110.15 126.87 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.836 -176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.528 ' CG ' ' HD1' ' A' ' 20' ' ' HIS . 7.1 m-20 -99.67 130.43 45.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.642 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -98.44 128.29 44.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.183 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.511 ' HA ' HG23 ' A' ' 18' ' ' THR . 15.9 t -99.65 113.22 25.53 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.367 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.0 mp -102.92 164.71 11.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.402 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -111.57 142.13 44.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -82.54 95.81 7.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.062 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . 12.1 tp -97.14 157.44 15.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 2.2 p -98.9 108.99 52.07 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.78 0.324 . . . . 0.0 110.14 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.61 -33.86 54.05 Favored 'Trans proline' 0 N--CA 1.474 0.376 0 C-N-CA 123.479 2.786 . . . . 0.0 114.07 -171.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.64 -50.86 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.218 0.532 . . . . 0.0 111.015 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 26.0 p -116.87 82.2 1.76 Allowed 'General case' 0 C--O 1.25 1.079 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.811 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -77.22 88.27 3.66 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.756 0.66 . . . . 0.0 112.238 -168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.696 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 25.8 mt-30 -153.8 157.76 32.58 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -44.35 124.19 4.98 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.118 2.545 . . . . 0.0 113.103 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 33' ' ' LEU . 5.2 mp -80.74 -178.49 6.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.367 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.545 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 62.3 tt0 -90.86 127.38 36.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.54 103.02 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.141 0.496 . . . . 0.0 110.714 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 81.3 mt -94.17 97.2 10.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.484 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.05 132.15 35.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.961 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.46 -169.36 1.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.44 88.24 3.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.089 0.471 . . . . 0.0 110.308 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -39.99 2.57 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.176 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.73 131.73 34.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 111.072 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.3 107.23 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.344 0.592 . . . . 0.0 110.067 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.89 131.9 38.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 95.4 m-85 -89.94 104.42 16.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 28.7 t80 -148.98 105.52 3.54 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.4 p -78.73 94.65 5.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.194 0.521 . . . . 0.0 110.62 -177.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -95.91 -57.88 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.07 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -79.46 7.35 8.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.257 0.551 . . . . 0.0 111.164 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -159.05 159.4 30.32 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.725 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 10.5 m170 68.76 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 117.295 0.547 . . . . 0.0 110.763 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.6 131.76 2.26 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -52.25 129.91 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.29 0.567 . . . . 0.0 111.203 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.455 HG13 ' HB3' ' A' ' 34' ' ' CYS . 39.7 mm -101.6 132.11 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.778 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -55.88 133.96 51.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -75.26 8.34 2.78 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.791 0.664 . . . . 0.0 112.791 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -97.88 -56.96 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 171.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -84.4 67.12 9.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.856 0.836 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 32' ' ' ALA . 44.4 t -106.57 140.78 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.779 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 3.7 t-20 -83.46 80.27 9.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -72.67 102.25 3.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.1 p -125.2 142.38 42.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.773 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.428 HG12 ' HG ' ' A' ' 30' ' ' LEU . 35.9 mt -82.13 85.01 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 171.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.273 -173.501 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 121.446 0.641 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.55 99.17 8.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 166.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.551 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 3.0 m -119.13 125.7 49.87 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.514 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.2 t -67.93 122.68 84.78 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -39.91 74.4 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.52 2.813 . . . . 0.0 113.721 -173.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.82 -11.16 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.027 0.442 . . . . 0.0 111.334 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.1 m -103.94 -52.01 3.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.551 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 41.5 t60 54.11 43.2 31.05 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.864 0.84 . . . . 0.0 109.119 -167.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -130.97 25.07 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.061 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.26 -173.97 0.14 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.21 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 5' ' ' CYS . 85.6 mt -144.81 163.49 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.57 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.21 127.35 51.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -79.23 113.05 17.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.906 0.384 . . . . 0.0 110.017 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.85 -15.17 57.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.205 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.04 -77.52 0.23 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.237 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.57 -14.25 16.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 HG21 ' HA ' ' A' ' 29' ' ' SER . 34.3 p -123.6 167.5 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.902 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HB3' HD13 ' A' ' 30' ' ' LEU . . . -110.84 123.15 49.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -97.41 122.65 40.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.965 0.412 . . . . 0.0 110.824 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 4.9 t -92.62 113.86 26.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.438 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -76.55 -57.21 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -66.09 114.46 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 2.9 p 59.14 97.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.7 0.762 . . . . 0.0 109.192 -164.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -70.83 100.73 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.076 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -151.53 149.76 29.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.148 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.95 148.99 33.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.124 0.488 . . . . 0.0 110.659 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 70' ' ' ILE . 79.7 m-85 -120.28 128.89 53.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.47 ' HA ' HG21 ' A' ' 18' ' ' THR . 50.7 m -73.63 125.41 27.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 19' ' ' ALA . 85.6 mt -100.11 135.04 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.206 0.527 . . . . 0.0 111.161 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -118.6 120.98 39.09 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.311 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -66.31 115.66 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.9 tp -125.23 155.28 40.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.575 ' SG ' HG12 ' A' ' 61' ' ' ILE . 5.0 t -105.36 130.62 22.78 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.62 -39.11 67.15 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 C-N-CA 123.203 2.602 . . . . 0.0 113.595 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 9.7 p-10 -80.24 -14.28 58.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.527 -177.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.29 91.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.284 0.564 . . . . 0.0 110.736 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -85.15 76.23 10.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.698 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mt-30 -147.89 176.24 2.32 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.623 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.698 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 11.4 Cg_endo -56.38 107.5 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.77 1.647 . . . . 0.0 110.893 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 52' ' ' TYR . 77.3 mt -72.96 -171.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.747 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HG2' ' HA ' ' A' ' 54' ' ' CYS . 49.6 mm-40 -80.52 102.3 9.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.63 101.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.21 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.34 117.05 33.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.32 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -85.34 126.04 33.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 0.0 111.309 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.37 -169.25 2.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.699 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p -52.68 -55.47 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.432 . . . . 0.0 111.154 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 38.27 1.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.749 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 166.6 30.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.3 t -120.66 115.22 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.64 117.92 33.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.424 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.481 ' HB3' HD12 ' A' ' 41' ' ' LEU . 97.3 m-85 -89.46 96.78 10.85 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 10.2 t80 -144.99 116.25 7.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 59.9 m -67.65 90.04 0.26 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.8 -37.73 29.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.857 0.361 . . . . 0.0 110.765 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -124.27 -26.41 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.74 24.54 12.16 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.545 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 9.5 t-160 172.41 -60.93 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.8 147.59 6.12 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' H ' HD21 ' A' ' 60' ' ' LEU . 2.4 pt? -54.29 135.94 43.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 110.837 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG12 ' SG ' ' A' ' 34' ' ' CYS . 3.2 mp -102.77 155.82 5.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.395 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 129.36 41.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -68.57 -17.54 64.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -85.57 -2.72 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.995 0.426 . . . . 0.0 110.614 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -110.86 8.69 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.03 103.78 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -74.49 93.85 2.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.083 0.468 . . . . 0.0 111.136 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.75 107.81 5.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.87 169.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.143 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 28' ' ' PHE . 72.2 mt -101.49 112.28 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.232 178.674 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -77.06 125.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.53 ' HB ' ' HA ' ' A' ' 11' ' ' ALA . 1.5 t -155.7 141.87 18.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -60.74 125.57 83.21 Favored Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.88 -60.27 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.975 2.45 . . . . 0.0 113.211 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.94 -23.45 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 0.0 111.438 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -116.13 56.65 0.77 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.511 0.672 . . . . 0.0 109.914 177.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.23 128.24 34.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.765 -172.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.727 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 27.2 t-80 -178.94 -60.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HA ' ' HB ' ' A' ' 4' ' ' THR . . . -175.35 -174.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.749 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HG ' ' N ' ' A' ' 5' ' ' CYS . 13.1 mt -144.31 143.8 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.288 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -107.12 104.28 13.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.035 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.08 114.22 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.292 0.568 . . . . 0.0 110.389 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' N ' HD21 ' A' ' 15' ' ' ASN . 0.9 OUTLIER -90.31 -1.76 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.91 -55.06 0.74 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.491 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -85.43 -35.22 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.173 0.511 . . . . 0.0 110.548 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -139.76 165.55 26.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.229 0.538 . . . . 0.0 111.516 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.62 110.92 21.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -93.61 133.93 36.43 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.748 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 10.7 m -79.35 150.69 31.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.793 0.806 . . . . 0.0 110.749 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.727 ' OE2' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -78.58 -72.42 0.38 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.837 -166.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -105.32 1.95 28.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.81 0.814 . . . . 0.0 110.003 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -112.05 138.11 49.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.461 174.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.79 75.86 6.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.44 . . . . 0.0 111.039 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 26.1 mtpp -138.48 141.27 39.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -133.4 120.85 21.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.8 139.39 34.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.818 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -78.7 125.02 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.07 132.12 45.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.772 0.32 . . . . 0.0 110.245 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -111.96 128.05 56.05 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -65.58 98.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.762 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 151.42 20.81 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.735 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.562 ' SG ' ' HG ' ' A' ' 41' ' ' LEU . 1.9 p -96.2 109.03 45.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' HG22 ' A' ' 61' ' ' ILE . 23.6 Cg_endo -60.97 -49.51 8.1 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 123.368 2.712 . . . . 0.0 113.691 -172.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.45 -57.49 11.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 110.383 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 26.4 p -105.49 85.18 2.2 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 46.4 ttp180 -74.28 91.21 2.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.87 0.843 . . . . 0.0 111.412 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -171.95 165.48 4.07 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 113.951 -1.477 . . . . 0.0 107.8 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.43 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 82.6 Cg_exo -42.12 149.24 0.31 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 123.619 2.879 . . . . 0.0 113.962 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.562 ' HG ' ' SG ' ' A' ' 34' ' ' CYS . 5.2 mp -112.39 -171.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.358 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 6.5 tp60 -84.75 129.13 34.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.8 t -79.27 103.92 6.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.29 130.64 41.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.869 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.9 125.96 47.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.04 170.06 8.78 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.4 p -56.96 -45.22 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.0 111.648 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.48 30.23 3.48 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.521 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -158.09 156.11 30.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.975 0.416 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.39 106.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.43 139.29 34.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.035 0.445 . . . . 0.0 111.461 -172.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 55.8 m-85 -96.25 108.22 20.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 7.0 t80 -151.16 105.84 3.27 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 2.1 p -80.02 88.27 5.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.832 -174.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -78.44 -68.67 0.62 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.412 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -89.61 111.49 22.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.585 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.38 -51.6 0.8 Allowed Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.644 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.6 m170 -116.45 -58.12 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.603 -0.351 . . . . 0.0 110.31 -177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.22 -98.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.254 175.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.86 107.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 HG22 ' HD2' ' A' ' 35' ' ' PRO . 20.4 mm -88.67 125.45 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.043 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t -51.37 132.72 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.238 0.336 . . . . 0.0 110.163 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HA ' HG21 ' A' ' 66' ' ' VAL . 65.9 pttt -64.0 -13.81 49.33 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.736 -173.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -86.43 -15.03 41.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 0.0 110.208 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -111.0 -6.77 14.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 -176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG12 ' HB1' ' A' ' 32' ' ' ALA . 59.2 t -61.44 119.33 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' ND2' ' HB ' ' A' ' 69' ' ' VAL . 6.1 t30 -92.63 99.7 12.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 -175.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.42 103.1 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.44 ' HB ' ' ND2' ' A' ' 67' ' ' ASN . 12.7 p -117.21 147.91 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.895 0.379 . . . . 0.0 111.505 -172.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.92 127.76 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.819 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.782 -178.211 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD13 ' HB2' ' A' ' 12' ' ' LEU . 1.1 pp -77.91 127.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -115.27 155.62 26.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.581 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' SG ' HG13 ' A' ' 7' ' ' VAL . 42.5 t -75.95 111.73 16.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.68 -25.73 76.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.871 2.381 . . . . 0.0 112.856 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.488 HG13 ' SG ' ' A' ' 5' ' ' CYS . 7.4 p -93.4 -7.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.292 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -124.29 -17.11 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 64.25 12.72 7.38 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.767 0.794 . . . . 0.0 110.283 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -100.4 150.71 22.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.012 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.57 135.47 43.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.7 mt -84.72 117.7 23.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.344 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.89 119.55 15.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.056 -0.657 . . . . 0.0 109.533 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -83.65 111.94 19.58 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.774 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.73 0.776 . . . . 0.0 109.233 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.26 -77.64 0.34 Allowed Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.882 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.14 -14.19 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.446 0.641 . . . . 0.0 110.181 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.416 HG21 ' HB3' ' A' ' 27' ' ' ASP . 24.8 m -138.16 146.25 42.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -110.87 140.58 45.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -127.83 129.16 46.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 44.3 t -97.48 125.72 42.32 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.752 174.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 5.0 mm-40 -77.59 -28.38 51.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 111.259 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -85.77 18.05 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.568 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.57 ' SG ' ' HE2' ' A' ' 26' ' ' LYS . 12.7 m -146.6 -37.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.872 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.35 17.8 5.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.306 0.642 . . . . 0.0 110.176 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 46.7 mtmt -91.49 144.31 25.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.956 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.416 ' HB3' HG21 ' A' ' 18' ' ' THR . 32.0 m-20 -114.55 130.0 56.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.84 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -112.09 136.43 51.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -80.85 136.45 36.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 19' ' ' ALA . 98.6 mt -111.5 132.61 54.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.905 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -112.28 136.74 51.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.175 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.99 114.35 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.546 ' HG ' ' HA ' ' A' ' 38' ' ' ARG . 3.0 mp -111.59 147.36 35.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.623 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' A' ' 61' ' ' ILE . 57.7 m -96.68 150.93 37.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.955 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.9 Cg_exo -65.81 -26.93 52.06 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.604 2.203 . . . . 0.0 112.074 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.6 -29.74 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.37 101.78 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.15 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -89.41 48.41 1.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.766 0.793 . . . . 0.0 110.549 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -103.87 176.98 1.55 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.049 172.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 34.7 Cg_exo -64.57 9.94 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.483 2.122 . . . . 0.0 113.438 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD21 ' SG ' ' A' ' 54' ' ' CYS . 51.8 mt 54.04 -102.97 0.16 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.368 0.667 . . . . 0.0 111.258 177.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 52.6 tt0 -147.61 107.14 3.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.97 121.79 22.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.74 0.781 . . . . 0.0 111.751 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 mt -114.56 145.35 42.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.683 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -134.52 133.5 40.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 0.0 110.846 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 115.62 17.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.822 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.2 m 62.65 -87.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.746 0.654 . . . . 0.0 110.722 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.58 4.11 5.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.03 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.26 145.99 29.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 m -121.17 143.26 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.37 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.52 132.0 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.51 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 89.4 m-85 -97.2 102.93 14.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 9.4 t80 -140.99 119.15 12.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.961 -167.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' HD21 ' A' ' 41' ' ' LEU . 87.4 m -66.96 130.05 41.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 110.257 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -114.22 -77.33 0.57 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.09 113.71 26.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.18 -43.63 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.779 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.0 t-160 -122.71 -67.2 0.97 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.231 0.539 . . . . 0.0 109.719 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.97 177.13 14.72 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.68 139.0 47.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.408 0.623 . . . . 0.0 111.12 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 HG13 ' SG ' ' A' ' 34' ' ' CYS . 30.9 mm -115.96 132.22 66.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.427 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -55.17 113.5 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -75.12 8.32 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -98.92 4.8 47.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -122.03 -0.42 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.977 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.86 155.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.184 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -98.76 100.04 11.2 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.88 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -77.62 108.75 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.12 150.29 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.054 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.94 107.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.319 -0.73 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 -176.267 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.0 mp -79.75 110.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -101.68 136.71 41.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.344 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HB2' HD23 ' A' ' 12' ' ' LEU . 47.8 t -64.67 128.67 93.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.261 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.76 -23.29 35.89 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.366 2.044 . . . . 0.0 112.073 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.66 -60.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.12 -16.48 49.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.766 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 55.62 45.21 25.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.046 0.927 . . . . 0.0 109.738 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -132.27 146.12 51.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.888 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 135.9 56.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 111.484 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 5' ' ' CYS . 62.7 mt -82.77 154.95 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 109.54 20.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -89.9 111.25 22.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.087 0.47 . . . . 0.0 110.556 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -94.81 -10.38 31.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.472 0.654 . . . . 0.0 109.697 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 103.0 116.43 4.2 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 25.4 t70 73.19 -35.48 0.32 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.115 0.566 . . . . 0.0 111.236 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 16' ' ' GLY . 4.4 m -117.12 133.55 55.86 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.828 0.347 . . . . 0.0 110.567 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 30' ' ' LEU . . . -110.88 115.99 30.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.027 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -110.61 125.71 53.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.015 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.869 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 52.3 t -79.57 129.73 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.855 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.9 -27.68 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -107.94 16.77 23.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.959 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 95.6 m -137.48 173.11 12.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.225 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.86 24.32 12.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.557 0.694 . . . . 0.0 109.163 173.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -101.06 142.98 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.067 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -118.25 121.26 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.301 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -104.15 133.92 48.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.5 m -81.0 121.76 26.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.494 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD12 ' HB1' ' A' ' 19' ' ' ALA . 76.0 mt -100.5 113.22 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.0 110.595 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.97 139.22 47.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.617 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -91.52 112.99 25.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 -177.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -110.94 162.84 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.558 ' SG ' HD12 ' A' ' 41' ' ' LEU . 24.9 p -123.81 156.14 65.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.685 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.23 146.7 9.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.62 2.88 . . . . 0.0 112.346 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.59 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.409 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.615 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.4 p -82.41 78.1 9.1 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.452 0.644 . . . . 0.0 110.859 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' CYS . 86.0 mtt-85 -79.56 6.15 11.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.408 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.916 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 37.2 mt-30 -112.25 -57.44 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.916 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -61.77 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 121.964 1.776 . . . . 0.0 112.178 170.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.654 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 2.6 mp -148.52 152.71 37.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.546 167.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.1 mt-30 -91.38 113.44 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.6 t -78.66 88.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.34 0.591 . . . . 0.0 109.869 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.059 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -90.34 95.96 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.13 158.86 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.151 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -67.64 109.75 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.89 61.5 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.692 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.28 99.15 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.098 0.475 . . . . 0.0 111.341 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.03 116.43 46.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.46 126.43 38.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.919 0.39 . . . . 0.0 111.865 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.502 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 58.2 m-85 -86.9 101.13 13.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 165.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 30.9 t80 -146.12 118.84 8.61 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.719 -167.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 90.3 m -77.21 131.02 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.267 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -119.81 -39.19 2.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -109.01 150.62 27.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.705 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.19 -81.19 1.76 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.274 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -79.73 -69.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.379 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.84 168.01 11.42 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 pp -73.85 134.75 43.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.28 0.562 . . . . 0.0 110.865 -177.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.46 126.75 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.251 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -55.05 131.26 44.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' HA ' HG21 ' A' ' 66' ' ' VAL . 27.6 ttmt -60.51 -24.03 65.0 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -71.63 -11.04 60.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.207 0.527 . . . . 0.0 110.584 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.506 ' HA ' ' NE ' ' A' ' 65' ' ' ARG . 3.9 mmp_? -119.4 0.59 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.328 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 32' ' ' ALA . 67.9 t -78.58 131.2 34.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -85.86 91.78 8.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.735 0.303 . . . . 0.0 111.382 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.6 97.14 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.22 166.67 19.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.993 0.425 . . . . 0.0 111.248 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' HA ' ' O ' ' A' ' 29' ' ' SER . 53.0 mt -77.63 104.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.797 -175.101 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.218 0.533 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 12' ' ' LEU . 11.6 pt -71.36 128.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.581 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -124.74 144.99 49.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' HD21 ' A' ' 12' ' ' LEU . 45.6 t -78.75 131.62 67.03 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.19 23.43 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.136 2.557 . . . . 0.0 112.868 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 5' ' ' CYS . 67.0 t -135.14 -57.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.0 115.31 30.05 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.436 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -69.0 81.36 0.31 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.556 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -145.56 157.35 44.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.438 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.567 ' HB2' HG13 ' A' ' 3' ' ' ILE . 39.5 mt -91.5 167.01 12.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.13 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.68 150.85 40.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.18 132.32 36.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.315 -176.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.9 33.93 5.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.137 0.494 . . . . 0.0 110.131 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 -100.63 2.69 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.136 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.19 3.36 53.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 111.085 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -147.35 154.52 41.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.337 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.0 145.08 39.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -105.43 135.05 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.123 0.487 . . . . 0.0 111.143 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.0 t -108.23 123.43 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.671 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.74 -77.69 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.284 . . . . 0.0 110.238 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.37 130.62 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 23' ' ' THR . 16.6 p 50.86 91.15 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.584 0.707 . . . . 0.0 109.84 -164.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 117.74 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.467 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -151.42 156.16 40.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.055 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -130.38 114.76 15.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.109 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.502 ' HB3' HG22 ' A' ' 70' ' ' ILE . 75.4 m-85 -98.49 134.87 40.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.746 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -72.18 124.6 25.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.43 145.79 28.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.493 0.663 . . . . 0.0 111.623 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 52.3 tt0 -124.76 128.79 49.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.27 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -81.15 123.12 28.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 0.0 111.217 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD21 ' HG3' ' A' ' 38' ' ' ARG . 12.2 tp -131.71 154.08 49.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 p -115.66 126.26 27.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.897 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.48 -12.07 33.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.718 2.945 . . . . 0.0 112.586 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.61 -32.09 69.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.588 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 28.4 p -143.2 -38.56 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.225 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HG3' HD21 ' A' ' 33' ' ' LEU . 51.5 ttp180 66.64 14.96 9.98 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.243 1.021 . . . . 0.0 109.05 -173.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 2.5 mp0 -86.57 107.73 14.99 Favored Pre-proline 0 C--O 1.254 1.325 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.961 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -20.1 103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.254 1 C-N-CA 125.895 4.397 . . . . 0.0 113.17 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.913 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 8.2 mp -51.67 -86.14 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 -168.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.612 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.8 tp60 168.97 107.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 2.6 p -73.43 110.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.771 0.796 . . . . 0.0 110.128 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 23.0 mt -105.67 115.71 30.71 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.336 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -107.89 142.63 37.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.929 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.86 -91.07 0.55 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -147.02 94.63 2.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 -44.42 2.85 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.365 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.64 31.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 110.722 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.36 119.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.722 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.5 m-20 -110.15 158.21 18.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.925 0.393 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 43.1 m-85 -132.37 110.23 10.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 2.2 t80 -153.3 118.67 5.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -172.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.913 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 76.8 m -67.48 88.53 0.21 Allowed 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -77.14 -32.4 56.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -129.21 168.62 15.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.625 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.99 -63.67 3.81 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.152 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 10.2 t-160 -93.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.75 152.3 6.73 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.632 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.7 pt? -55.69 119.2 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.1 mp -81.11 150.16 4.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.594 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -55.6 117.89 4.02 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 172.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -55.75 -32.38 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.265 -171.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -91.67 10.85 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -116.37 -1.2 12.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -72.71 120.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.621 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.13 98.77 8.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.24 97.35 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 172.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -102.46 161.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.828 -176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.502 HG22 ' HB3' ' A' ' 28' ' ' PHE . 74.6 mt -69.65 116.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.187 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 11.8 t . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.292 0.567 . . . . 0.0 110.034 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 4' ' ' THR . 53.3 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.446 HG22 HD11 ' A' ' 12' ' ' LEU . 55.8 mt 67.19 -74.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.647 0.592 . . . . 0.0 111.244 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.527 HG21 ' HA ' ' A' ' 11' ' ' ALA . 41.2 p 63.08 137.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.914 1.286 . . . . 0.0 113.329 177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.618 ' SG ' HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -87.81 142.49 32.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.689 176.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.21 -35.49 91.16 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.236 2.624 . . . . 0.0 112.143 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.441 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 27.5 m -112.48 160.69 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.7 p 41.4 49.47 3.46 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 123.394 0.434 . . . . 0.0 109.938 -174.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 20.2 t-80 -48.58 -95.29 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.875 1.359 . . . . 0.0 113.805 -172.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.407 ' H ' ' HB3' ' A' ' 9' ' ' HIS . 2.9 t-160 41.32 -88.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.19 0.996 . . . . 0.0 112.265 -167.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -155.87 167.56 30.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.618 HD21 ' SG ' ' A' ' 5' ' ' CYS . 34.7 mt -128.17 146.33 50.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.66 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -108.36 144.07 36.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.202 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -82.81 100.99 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.901 0.381 . . . . 0.0 110.362 175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -88.5 55.59 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.27 -106.63 1.98 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.774 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.79 -15.3 48.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -108.38 161.78 14.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.273 -173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 30' ' ' LEU . . . -110.93 110.72 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -96.84 136.86 36.8 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.374 -174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.75 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 11.0 m -78.85 131.07 36.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.99 0.424 . . . . 0.0 110.193 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.68 -58.51 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.657 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -98.57 18.02 17.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.262 1.03 . . . . 0.0 109.138 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.75 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -142.18 140.25 32.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.102 -173.048 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.94 78.99 9.79 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.7 tppt? -151.34 149.37 29.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.579 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.08 127.51 34.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 70' ' ' ILE . 57.4 m-85 -108.07 148.43 29.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.916 0.388 . . . . 0.0 111.319 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -88.37 135.0 33.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 19' ' ' ALA . 86.0 mt -105.9 131.3 53.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -111.66 109.6 19.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.661 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.518 ' O ' ' HD2' ' A' ' 52' ' ' TYR . . . -81.07 97.53 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD23 ' HG3' ' A' ' 38' ' ' ARG . 13.1 tp -106.37 162.79 13.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.097 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 2.6 p -96.24 115.29 65.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.257 0.551 . . . . 0.0 109.574 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HB3' ' HB2' ' A' ' 67' ' ' ASN . 82.4 Cg_endo -78.16 10.97 2.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.441 2.761 . . . . 0.0 113.767 -171.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -123.47 -61.99 1.35 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.055 0.455 . . . . 0.0 109.841 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -94.53 49.28 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.092 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HG3' HD23 ' A' ' 33' ' ' LEU . 10.7 ttp180 -51.97 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.852 0.834 . . . . 0.0 112.779 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.489 ' O ' HD13 ' A' ' 41' ' ' LEU . 52.6 mt-30 -150.19 158.16 36.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.27 117.0 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.354 2.036 . . . . 0.0 112.351 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 39' ' ' GLN . 6.9 mp -78.4 -177.73 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -97.01 138.4 34.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 110.146 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.01 94.24 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.827 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 53' ' ' PHE . 81.6 mt -85.62 107.35 17.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 110.429 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.51 98.98 10.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.556 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 96.51 9.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.689 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m 62.79 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.73 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.93 5.27 5.07 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.99 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.53 125.23 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -100.15 118.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.305 -177.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.8 123.11 48.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.735 172.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' HD2' ' O ' ' A' ' 32' ' ' ALA . 2.2 t80 -86.25 101.35 12.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' HB3' HD13 ' A' ' 44' ' ' LEU . 27.9 t80 -140.8 141.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.745 -167.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 25.8 m -70.09 124.61 24.51 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 174.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -156.55 146.84 21.36 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.282 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 50.36 54.23 11.51 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.061 0.851 . . . . 0.0 111.707 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.25 -58.71 0.62 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.298 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 8.0 t-80 -66.57 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 54' ' ' CYS . . . 154.25 -108.92 0.39 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.461 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp 174.63 150.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.801 0.841 . . . . 0.0 108.741 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.477 HD13 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -128.64 147.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 t -62.66 130.46 45.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 66' ' ' VAL . 33.2 mtpt -72.36 8.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 0.0 110.989 -174.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -93.75 -17.88 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.628 174.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 65' ' ' ARG . 5.4 mtm180 -123.55 22.92 9.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.429 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 63' ' ' LYS . 61.2 t -73.52 133.92 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 35' ' ' PRO . 55.2 t30 -88.09 96.79 10.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.37 . . . . 0.0 110.246 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.57 108.31 15.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.12 130.69 43.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.481 HG22 ' HB3' ' A' ' 28' ' ' PHE . 73.8 mt -80.93 115.45 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.064 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -177.809 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 N--CA 1.468 0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.59 125.37 58.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -134.86 161.08 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.669 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -67.47 118.0 52.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.021 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 -26.2 41.18 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.406 2.071 . . . . 0.0 112.587 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.45 -36.35 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.961 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -97.38 -12.25 22.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.376 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 5.9 m170 60.5 -178.65 0.1 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.35 -171.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 56.5 m80 74.03 163.9 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.827 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.93 167.73 20.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.352 0.596 . . . . 0.0 112.31 -172.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -116.17 157.29 25.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.259 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -105.82 131.55 53.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -81.53 100.88 9.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -71.15 -29.5 65.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.212 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.17 -75.2 0.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.4 -9.43 29.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.587 0.708 . . . . 0.0 109.794 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.58 155.72 48.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.354 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -111.07 124.69 52.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.11 132.43 45.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.122 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.761 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 62.3 m -79.29 138.43 37.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.494 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -77.14 -60.1 2.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.168 0.509 . . . . 0.0 111.228 176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 p -85.27 13.84 5.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.176 -170.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.761 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -161.0 145.35 13.66 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -170.165 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.53 74.01 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.406 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -143.28 127.14 17.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.077 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.57 125.58 53.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.497 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.0 m-85 -100.96 131.57 46.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.878 -176.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -76.52 124.97 28.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 19' ' ' ALA . 89.5 mt -100.29 143.49 30.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -133.83 123.67 25.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -75.56 103.87 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 38' ' ' ARG . 12.4 tp -112.3 156.37 22.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.367 -174.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 35' ' ' PRO . 14.3 t -98.47 142.32 24.4 Favored Pre-proline 0 N--CA 1.45 -0.434 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 60.0 Cg_exo -53.46 -32.41 62.71 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.124 2.55 . . . . 0.0 113.997 -177.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.08 -33.55 9.21 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.789 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.792 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 3.7 p -121.57 134.35 55.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.531 0.681 . . . . 0.0 110.953 -175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' HD12 ' A' ' 33' ' ' LEU . 63.7 mtt85 -115.0 18.35 16.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.534 -172.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.603 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 22.2 mt-30 -145.47 -55.41 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.467 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.792 ' HD2' ' HB2' ' A' ' 37' ' ' CYS . 12.1 Cg_exo -72.46 24.87 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.942 2.428 . . . . 0.0 114.808 -171.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.972 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 7.1 mp -84.07 132.53 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.882 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.8 mm-40 -84.08 142.08 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.45 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.6 97.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.125 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 28.5 mt -88.34 117.83 27.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG2' HG13 ' A' ' 50' ' ' VAL . 81.0 mttt -99.82 118.27 35.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.153 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.71 83.31 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t 66.88 -75.42 0.06 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.811 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.66 -17.75 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.444 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.18 146.65 25.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.509 HG13 ' HG2' ' A' ' 45' ' ' LYS . 17.3 m -114.55 137.56 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.892 0.377 . . . . 0.0 111.087 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -133.53 123.18 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.164 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 7.8 m-85 -86.55 116.92 25.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.615 0.721 . . . . 0.0 110.333 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.1 t80 -149.12 99.58 2.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.607 -170.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.972 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 5.6 p -78.68 88.31 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.664 -171.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -77.25 -34.15 55.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.0 109.568 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.32 123.81 50.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.459 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.49 2.92 40.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 7.6 t60 -172.3 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.162 0.506 . . . . 0.0 109.9 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.9 161.38 10.28 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.491 HD11 ' O ' ' A' ' 60' ' ' LEU . 1.1 pp -57.72 131.3 49.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.343 0.592 . . . . 0.0 111.634 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 ' SG ' ' A' ' 54' ' ' CYS . 1.5 mp -103.75 157.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.61 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -73.38 119.73 18.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 168.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -73.65 8.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.479 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -93.7 -8.05 41.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.38 -16.54 11.43 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.69 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 63' ' ' LYS . 28.5 m -60.07 144.07 13.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.038 0.447 . . . . 0.0 110.928 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -99.23 101.66 13.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.82 102.53 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.58 148.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 28' ' ' PHE . 70.9 mt -84.59 121.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.027 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.145 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 CA--C 1.523 -0.074 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 HD12 ' A' ' 12' ' ' LEU . 29.5 mm 67.31 90.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.278 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -124.77 134.62 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.726 -173.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 41.9 t -76.54 140.03 67.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.457 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 14.2 Cg_endo -56.81 -22.61 46.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.434 2.756 . . . . 0.0 113.344 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.83 2.97 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.074 0.464 . . . . 0.0 110.571 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.81 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 60.3 m -138.28 68.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.656 0.741 . . . . 0.0 109.764 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -76.63 100.19 5.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.777 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -167.41 -52.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.989 168.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.13 156.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.213 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 5' ' ' CYS . 41.9 mt -115.89 175.41 5.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -94.5 114.27 26.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 18' ' ' THR . 35.5 ttp180 -78.58 93.53 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.636 0.731 . . . . 0.0 109.607 176.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -107.94 105.05 14.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.729 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 37.49 75.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.607 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 64.8 13.4 8.44 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.604 0.716 . . . . 0.0 110.647 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 m -111.14 168.05 9.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -110.74 102.57 11.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.199 0.523 . . . . 0.0 111.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -97.07 123.62 40.86 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 52.5 t -78.85 125.75 29.79 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.921 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -59.6 -47.02 87.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.269 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -89.59 -37.05 14.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.84 -17.84 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.112 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.74 17.59 9.95 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.497 0.498 . . . . 0.0 111.456 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -94.03 148.63 21.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.49 113.13 26.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 69.9 m-85 -102.68 121.47 42.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.501 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.9 t -82.67 147.65 28.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.166 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 19' ' ' ALA . 3.9 mm? -99.68 112.53 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.8 134.91 53.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.906 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -79.78 101.22 8.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.91 143.72 28.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.147 0.499 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 7.3 t -103.54 118.7 56.94 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.03 -42.93 37.62 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 114.069 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 9.5 p-10 -74.43 -20.43 60.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.645 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 p -147.53 91.06 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 111.114 -173.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -78.5 82.37 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.72 0.771 . . . . 0.0 109.787 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -151.86 175.03 3.12 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.937 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 95.44 0.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.336 1.357 . . . . 0.0 110.648 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp -43.95 -53.39 6.22 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.809 0.693 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.55 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 15.8 tp60 169.98 110.5 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 52' ' ' TYR . 22.7 t -78.52 95.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.473 0.654 . . . . 0.0 111.445 -169.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.22 116.62 28.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.953 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -105.05 135.59 46.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.497 -172.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.89 -154.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.809 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.95 -58.71 3.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.797 0.332 . . . . 0.0 110.613 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.87 43.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.447 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.28 135.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.85 129.29 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.78 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -118.89 142.61 47.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.985 -174.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 51.9 m-85 -111.2 103.58 12.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.264 0.554 . . . . 0.0 109.544 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.55 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 66.1 t80 -132.86 121.89 23.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.772 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.858 ' HB3' ' H ' ' A' ' 59' ' ' GLY . 43.1 m -67.17 116.12 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -173.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.49 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.759 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.78 -27.73 12.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.835 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -11.02 84.29 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.68 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 9.4 t-160 -174.88 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.387 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.858 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 158.03 157.93 8.71 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -57.03 138.63 54.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 111.876 -174.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mm -120.91 139.18 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -52.68 115.0 1.58 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 66' ' ' VAL . 58.4 tttt -64.76 -22.98 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -167.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -75.26 -17.36 60.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.901 0.382 . . . . 0.0 110.445 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -106.94 -0.12 23.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.399 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 HG13 ' HB1' ' A' ' 32' ' ' ALA . 60.4 t -78.53 139.83 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.672 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -78.99 87.08 4.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.357 . . . . 0.0 111.613 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' HZ ' ' HE3' ' A' ' 63' ' ' LYS . 48.1 m-85 -77.0 97.36 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -118.96 158.18 20.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.96 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.487 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.4 pt -81.01 70.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.92 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 p . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.647 -174.89 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.614 0.245 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.5 pt -82.16 113.85 22.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -115.03 132.17 56.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.086 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB3' HD23 ' A' ' 12' ' ' LEU . 13.3 p -70.02 135.78 87.31 Favored Pre-proline 0 N--CA 1.456 -0.152 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -74.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.711 2.274 . . . . 0.0 113.619 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.43 -26.82 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.936 -172.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.795 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -105.34 5.86 32.22 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -175.569 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 2.0 t-80 27.89 89.86 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.22 1.808 . . . . 0.0 115.119 170.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.46 175.69 0.23 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.395 0.678 . . . . 0.0 109.198 167.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.94 137.98 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 21' ' ' CYS . 89.0 mt -94.18 156.72 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.525 172.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.46 131.83 53.76 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -83.33 87.44 6.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.78 106.24 15.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.83 -101.38 0.64 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -169.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -132.73 19.28 4.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.805 174.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -108.72 153.93 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.69 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -110.77 101.16 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 27' ' ' ASP . 75.8 t60 -99.06 137.17 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.145 -178.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.503 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 63.8 m -79.33 130.98 35.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.112 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.82 -35.42 78.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -97.42 11.1 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.9 145.58 29.87 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.136 -169.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.84 48.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.386 0.613 . . . . 0.0 109.859 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -129.68 140.11 51.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.415 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -146.39 137.23 24.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.072 0.463 . . . . 0.0 109.982 170.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.89 157.89 20.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.11 -172.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 p -83.44 130.75 35.04 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.38 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD13 ' HB1' ' A' ' 19' ' ' ALA . 66.2 mt -100.1 140.45 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.207 0.527 . . . . 0.0 110.969 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -131.88 115.1 15.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.577 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -69.27 89.1 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -89.46 155.44 19.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.721 ' SG ' HD22 ' A' ' 41' ' ' LEU . 25.7 p -96.6 129.29 33.42 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.4 Cg_exo -65.71 -28.35 52.04 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 123.763 2.975 . . . . 0.0 112.894 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.54 -64.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.352 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.556 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -69.46 -45.51 68.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.57 -179.053 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 53.2 mtp180 57.92 -166.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.441 -173.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 75.39 161.95 0.15 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.289 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 9.3 Cg_endo -53.13 112.24 0.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 121.912 1.741 . . . . 0.0 111.722 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.721 HD22 ' SG ' ' A' ' 34' ' ' CYS . 24.2 mt -71.42 -166.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.852 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -94.43 114.22 26.21 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.26 97.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.227 0.536 . . . . 0.0 110.418 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.06 146.92 31.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.87 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 2.5 mptp? -104.71 126.96 52.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.99 13.97 33.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.085 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.43 82.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.337 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.1 -42.59 1.85 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.44 166.09 15.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.03 163.31 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.626 0.25 . . . . 0.0 110.517 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.85 149.47 33.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.105 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.517 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 38.6 m-85 -108.13 112.13 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -144.35 133.7 23.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 110.203 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 79.2 m -76.81 122.63 25.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -107.46 -56.74 2.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -127.45 156.57 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.263 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.34 0.38 57.34 Favored Glycine 0 C--O 1.236 0.258 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.128 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 77.6 m-70 -140.54 -87.56 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.259 0.552 . . . . 0.0 110.442 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.559 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 143.54 120.56 1.49 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 60' ' ' LEU . 4.1 pp -56.68 136.26 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 111.45 -173.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.782 HD13 HG21 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.99 124.42 72.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.307 -176.652 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 m -57.0 153.73 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 70.4 mmtt -64.03 -19.75 65.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -169.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -85.64 -17.95 34.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.094 0.473 . . . . 0.0 110.716 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HB3' HG21 ' A' ' 61' ' ' ILE . 15.5 mmt85 -90.25 -5.34 56.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.129 175.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.782 HG21 HD13 ' A' ' 61' ' ' ILE . 46.1 t -91.3 132.92 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.505 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -107.67 103.75 13.12 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 39.3 m-85 -73.41 98.44 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.147 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.97 176.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.231 0.538 . . . . 0.0 110.944 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.0 mt -102.67 75.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.672 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 CA--C 1.538 0.495 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.982 -176.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 12' ' ' LEU . 19.8 pt -97.96 124.58 51.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.453 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 28.0 m -147.28 144.03 28.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -175.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.778 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 17.2 t -63.83 129.49 93.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.33 2.94 2.4 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.035 2.49 . . . . 0.0 113.836 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.91 1.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 109.839 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.778 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 57.7 m -132.37 81.37 1.95 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.86 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.5 88.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.827 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -149.51 -87.42 0.08 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.767 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 175.23 172.87 0.26 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.459 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 4' ' ' THR . 82.7 mt -119.68 129.4 54.53 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -73.11 111.75 8.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -85.56 111.67 20.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.407 0.622 . . . . 0.0 110.408 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.87 7.92 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.094 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.41 -50.35 3.28 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.525 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.59 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 11.7 t70 -94.78 -43.21 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 0.0 110.678 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.404 HG22 ' HB3' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -126.05 164.58 20.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.522 -176.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 28' ' ' PHE . . . -113.58 136.52 52.73 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 56.2 t60 -120.27 139.85 52.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.526 0.203 . . . . 0.0 111.045 -175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 t -100.41 135.03 42.48 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.76 -18.5 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -85.33 -48.22 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 0.0 110.421 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.74 139.87 52.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.57 34.11 0.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.783 -172.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -94.16 128.45 40.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 18' ' ' THR . 28.4 m-20 -100.07 132.4 45.46 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.512 ' HB3' HG22 ' A' ' 70' ' ' ILE . 96.3 m-85 -98.52 116.22 30.28 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -176.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -66.37 119.88 12.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 19' ' ' ALA . 96.5 mt -99.97 124.66 45.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.83 0.348 . . . . 0.0 110.263 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -111.73 120.59 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 110.393 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -78.02 94.81 4.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.949 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 38' ' ' ARG . 14.3 tp -94.18 148.23 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.37 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 61' ' ' ILE . 42.0 t -96.48 116.49 66.16 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' C ' ' H ' ' A' ' 37' ' ' CYS . 31.8 Cg_exo -59.54 140.38 93.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.496 2.797 . . . . 0.0 111.75 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 26.6 t70 75.12 -31.64 0.21 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.752 0.658 . . . . 0.0 110.833 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' H ' ' C ' ' A' ' 35' ' ' PRO . 28.9 t -78.72 -80.39 0.12 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.537 177.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 55.6 ttp180 53.38 22.21 2.71 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.586 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.802 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.1 mt-30 -79.87 176.59 3.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.802 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 19.1 Cg_endo -61.77 83.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 4.8 mp -62.32 126.98 29.22 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.598 ' NE2' ' HA ' ' A' ' 54' ' ' CYS . 1.7 mp0 -64.11 124.7 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -76.28 92.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.91 103.97 3.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.63 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -97.56 123.09 41.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.148 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.65 171.37 8.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.472 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 p -76.89 94.1 3.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.023 0.44 . . . . 0.0 110.63 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.17 -39.95 1.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.611 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 17' ' ' ASP . . . -159.16 168.78 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.675 0.238 . . . . 0.0 110.995 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.47 169.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.674 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -149.7 131.45 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 48.4 m-85 -93.07 116.42 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.066 0.46 . . . . 0.0 110.019 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.731 ' HE2' HD21 ' A' ' 60' ' ' LEU . 12.1 t80 -158.42 113.63 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -173.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.8 p -80.26 88.65 5.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.402 0.62 . . . . 0.0 110.868 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.546 ' HA ' HD23 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -74.69 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.637 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.68 -57.89 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.697 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -73.61 137.88 24.15 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.535 176.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 66.43 -76.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.399 0.68 . . . . 0.0 111.497 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 155.56 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.824 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.731 HD21 ' HE2' ' A' ' 53' ' ' PHE . 16.9 mt -48.95 155.65 0.59 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.323 -174.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.511 HD12 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -127.75 132.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.391 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -58.68 127.14 30.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 68.5 mttm -62.38 -15.25 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 111.365 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -78.47 -11.17 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 21.3 mmt180 -118.21 0.85 11.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 50.7 t -71.19 132.57 33.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -98.09 96.51 8.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.145 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -75.97 107.25 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.022 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.67 147.56 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.309 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 28' ' ' PHE . 60.9 mt -83.52 112.22 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.633 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.17 0.509 . . . . 0.0 111.283 -177.368 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.054 0.455 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.468 HD13 HD23 ' A' ' 30' ' ' LEU . 25.9 mt -71.27 -54.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.899 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.4 p 60.68 159.68 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.21 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 37.2 t -101.38 135.61 19.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.914 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.93 -34.89 87.92 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.799 2.333 . . . . 0.0 112.838 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.04 23.54 5.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 95.6 m -148.99 -17.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t60 57.0 -97.95 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -166.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.418 ' CG ' ' H ' ' A' ' 11' ' ' ALA . 9.2 t-80 53.97 -162.29 0.12 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.425 0.453 . . . . 0.0 110.612 172.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.418 ' H ' ' CG ' ' A' ' 10' ' ' HIS . . . -122.1 145.88 47.74 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 168.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 40.1 mt -102.7 121.91 43.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.837 0.351 . . . . 0.0 110.085 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.94 115.1 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.388 0.613 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -81.72 125.2 30.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.652 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.03 -5.09 51.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.164 0.507 . . . . 0.0 110.173 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.29 -75.99 0.39 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.541 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.94 -38.95 16.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.558 0.694 . . . . 0.0 109.3 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -118.88 152.65 35.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.308 -176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -111.33 127.41 55.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.087 173.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -99.38 119.82 38.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.422 -172.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.49 124.6 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.49 -38.51 40.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -59.91 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 p -103.77 8.9 37.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.524 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.14 77.37 0.22 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.12 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.66 126.41 30.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -178.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.72 108.41 19.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 110.121 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.92 112.81 25.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -74.91 135.4 41.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD23 HD13 ' A' ' 3' ' ' ILE . 6.3 mp -102.08 156.96 17.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.216 0.531 . . . . 0.0 110.821 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -131.75 158.2 41.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.463 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -96.35 113.59 25.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.569 0.223 . . . . 0.0 110.578 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HG3' ' A' ' 38' ' ' ARG . 10.4 mp -118.09 153.28 34.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.82 146.35 31.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.148 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.65 -27.38 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.378 2.052 . . . . 0.0 111.721 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.546 ' HB2' ' HE1' ' A' ' 58' ' ' HIS . 4.3 m-20 -83.96 -31.06 25.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.484 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB2' ' HG3' ' A' ' 39' ' ' GLN . 26.1 p -146.39 120.23 9.3 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.841 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HG3' HD23 ' A' ' 33' ' ' LEU . 80.0 ttt180 -79.26 84.7 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 172.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.557 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 51.1 mt-30 -129.78 174.28 4.77 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.441 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 59.6 Cg_endo -76.13 14.32 1.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.61 1.54 . . . . 0.0 110.252 164.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.528 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp 59.03 -89.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.786 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.2 tp60 -159.82 110.52 1.93 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 t -70.01 111.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.31 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.4 mt -104.72 98.07 7.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.371 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HA ' HG13 ' A' ' 50' ' ' VAL . 25.7 mtpp -89.29 92.59 9.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.36 170.91 8.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.033 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 t -85.31 93.7 8.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.87 -26.76 4.45 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.196 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.77 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 45' ' ' LYS . 8.4 m -120.34 113.56 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.221 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.79 150.53 28.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.159 0.504 . . . . 0.0 111.051 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 85.8 m-85 -108.86 113.89 27.2 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 6.5 t80 -153.46 110.23 3.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.931 -167.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 72.1 m -70.76 88.82 0.73 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -67.26 -69.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.753 0.311 . . . . 0.0 111.448 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -104.41 -29.14 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.946 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 58' ' ' HIS . . . -81.68 35.22 2.49 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.141 -0.552 . . . . 0.0 113.22 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 3.0 t-160 169.9 -66.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.3 133.15 2.79 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.652 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.7 pt? -61.07 96.86 0.05 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 111.102 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mm -76.62 131.9 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.398 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -57.42 127.37 31.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HD2' ' HZ ' ' A' ' 68' ' ' PHE . 50.0 mtmt -64.2 -15.88 60.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -175.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.38 -31.25 67.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.728 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -107.78 0.29 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.519 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 75.6 t -78.94 141.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.11 92.22 7.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HZ ' ' HD2' ' A' ' 63' ' ' LYS . 94.3 m-85 -80.93 97.32 7.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -130.48 164.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.963 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.09 128.26 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -176.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 60.22 -173.8 0.12 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 0.0 111.928 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.77 114.01 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.23 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -138.21 154.64 49.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.926 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 37.1 t -65.82 137.08 95.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.803 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 22.6 Cg_exo -66.17 -3.82 9.29 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.973 2.448 . . . . 0.0 112.149 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -110.11 -61.24 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.02 95.19 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.453 0.644 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -70.02 84.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -116.89 -83.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.13 124.74 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.96 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.1 130.59 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.34 134.19 38.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 0.0 110.589 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -99.07 128.14 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.225 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -108.1 -0.03 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.905 0.859 . . . . 0.0 109.488 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 98.6 135.23 8.75 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 6.3 t70 69.05 -60.05 0.46 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.966 0.383 . . . . 0.0 111.04 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 27' ' ' ASP . 59.0 m -120.69 145.05 47.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 0.0 111.279 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.16 133.29 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.5 130.85 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 111.11 -174.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 42.7 t -89.86 117.91 29.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.339 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -96.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.893 0.877 . . . . 0.0 112.196 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 44.0 p -62.65 142.86 57.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' THR . 73.0 m 102.4 -30.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.63 1.831 . . . . 0.0 110.059 -173.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.84 31.75 20.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.324 0.583 . . . . 0.0 111.119 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -101.51 143.11 31.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.364 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' HB3' HG23 ' A' ' 18' ' ' THR . 12.5 m-20 -111.06 125.04 53.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 21' ' ' CYS . 97.6 m-85 -102.32 105.92 16.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.46 125.59 31.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.1 mp -104.26 137.46 42.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.024 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -111.14 142.31 43.49 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -85.85 107.93 17.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.545 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 38' ' ' ARG . 9.4 mp -112.63 158.46 19.97 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.934 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.93 151.57 37.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.13 -18.99 26.73 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.533 2.155 . . . . 0.0 112.177 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.06 -43.29 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.139 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.25 97.99 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.35 0.595 . . . . 0.0 110.092 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HG3' HD21 ' A' ' 33' ' ' LEU . 10.3 ttm180 -83.76 82.49 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.356 0.598 . . . . 0.0 110.654 -175.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' C ' ' H ' ' A' ' 41' ' ' LEU . 27.5 mt-30 -144.07 175.32 2.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.856 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' A' ' 52' ' ' TYR . 23.7 Cg_exo -66.71 5.38 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.222 1.948 . . . . 0.0 111.544 168.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 50.8 mt 63.71 -84.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.845 0.858 . . . . 0.0 111.467 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.01 128.7 3.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG13 ' HG3' ' A' ' 45' ' ' LYS . 51.0 t -83.38 102.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.199 0.523 . . . . 0.0 111.368 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 53' ' ' PHE . 31.2 mt -94.06 119.46 32.96 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 30.8 mtpp -120.86 137.39 54.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.023 0.44 . . . . 0.0 110.905 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.26 114.48 8.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.4 m 58.6 28.55 17.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.56 -38.76 3.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.305 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -59.69 148.66 33.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.578 0.228 . . . . 0.0 110.645 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.65 139.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.141 0.496 . . . . 0.0 111.504 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -136.88 140.19 42.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 75.9 m-85 -99.59 109.31 21.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.251 0.548 . . . . 0.0 109.833 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 21.4 t80 -146.04 106.98 4.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.058 -171.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 20.5 p -78.42 91.74 4.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.655 0.264 . . . . 0.0 110.59 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.54 -84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.426 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -92.92 -17.89 23.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 0.0 110.285 -175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.83 -4.99 63.46 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.945 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.0 t-80 -165.81 -62.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.0 138.05 2.84 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 60' ' ' LEU . 2.5 pt? -73.88 156.8 37.32 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.08 0.518 . . . . 0.0 111.624 -173.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' HB ' HG21 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -128.12 151.43 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.9 t -66.57 133.15 49.73 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HA ' HG23 ' A' ' 66' ' ' VAL . 29.0 mtpp -66.44 -7.93 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.171 0.51 . . . . 0.0 110.82 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -78.61 -16.7 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.311 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -121.59 10.29 10.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.212 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG21 ' HB ' ' A' ' 61' ' ' ILE . 60.2 t -84.36 139.79 17.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.46 95.31 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.93 100.06 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.981 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 p -105.23 142.41 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.596 HG12 ' HG ' ' A' ' 30' ' ' LEU . 59.5 mt -80.26 97.12 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.307 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -117.22 89.55 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 110.965 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.62 7.45 24.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.681 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' H ' ' HG3' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -78.91 158.91 27.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.478 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.12 107.01 6.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.029 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -3.89 24.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.596 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -69.63 -81.06 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 40.7 t-80 -113.16 78.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.89 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 4.4 t60 173.3 -45.31 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -71.51 83.55 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -98.45 152.64 19.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.255 0.55 . . . . 0.0 111.732 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.184 -176.652 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.576 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.45 150.16 23.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.496 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 3' ' ' ILE . 4.1 mp -80.78 102.43 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -77.79 121.75 24.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.265 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.9 t -67.68 125.85 91.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.735 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.92 -24.04 46.48 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.51 -65.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 25.8 p -83.86 -5.81 59.29 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.482 -175.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 53.76 50.72 16.4 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.252 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.516 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -139.24 159.88 41.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.809 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.52 124.41 23.51 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.557 0.535 . . . . 0.0 110.249 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 5' ' ' CYS . 82.3 mt -72.35 153.07 41.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.997 0.427 . . . . 0.0 110.593 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.09 105.38 16.09 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.476 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.528 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 8.0 ppt_? -84.93 137.01 33.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.356 0.598 . . . . 0.0 111.612 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -97.81 -27.99 14.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.443 -0.798 . . . . 0.0 108.922 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.93 -80.02 0.21 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.851 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -82.87 -14.52 54.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.357 0.598 . . . . 0.0 110.265 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 m -129.9 143.94 51.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.3 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 28' ' ' PHE . . . -111.2 108.22 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -87.13 121.89 30.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.032 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.08 125.8 29.88 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.796 0.808 . . . . 0.0 110.393 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -5.43 40.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.943 -1.48 . . . . 0.0 112.467 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -56.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.89 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 14.1 m -78.63 -2.0 36.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.141 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.22 21.24 10.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.807 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -103.64 145.26 30.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.734 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -109.61 129.47 55.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 83.2 m-85 -108.91 154.16 22.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . 18.6 m -87.39 128.28 35.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.649 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.0 mt -113.54 143.4 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.786 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -135.99 131.75 35.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.633 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.38 98.52 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.5 mt -98.62 152.88 19.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.131 0.491 . . . . 0.0 111.069 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 49.2 t -96.74 133.39 24.54 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -45.98 -41.45 20.76 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.89 3.06 . . . . 0.0 113.039 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 11.1 p-10 -85.99 -99.15 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 6.5 p -54.42 108.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.352 0.661 . . . . 0.0 111.625 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -105.03 20.44 18.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.48 . . . . 0.0 110.347 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.694 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 23.5 mt-30 -128.45 -62.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.13 -173.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.694 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 93.8 Cg_endo -81.1 40.66 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.337 2.025 . . . . 0.0 114.162 -168.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 136.42 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.481 HE22 ' HB3' ' A' ' 55' ' ' GLN . 22.4 mt-30 -71.2 137.6 48.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.131 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.71 89.04 2.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.32 96.91 6.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.351 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -91.07 103.43 16.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.843 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.4 -175.3 3.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m -68.83 -34.63 75.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.4 2.88 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.108 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.16 -173.55 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.642 0.258 . . . . 0.0 110.425 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 m -102.99 101.08 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 109.781 174.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -95.39 122.13 37.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 50.2 m-85 -86.35 96.65 10.06 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.0 t80 -144.66 123.14 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.588 -160.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 61.6 m -72.34 88.66 1.19 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HB3' HE22 ' A' ' 42' ' ' GLN . 56.1 tt0 -88.68 -21.79 23.73 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.4 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -134.81 169.91 16.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.387 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.94 -68.66 3.03 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.385 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -95.27 -76.19 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.338 . . . . 0.0 110.239 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.71 144.46 3.92 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 60' ' ' LEU . 1.8 pt? -61.42 106.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.544 0.687 . . . . 0.0 111.513 -174.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -85.1 131.69 33.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.147 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -54.26 143.49 22.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.679 0.276 . . . . 0.0 110.533 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 66' ' ' VAL . 89.1 mttt -70.58 -5.36 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.211 0.529 . . . . 0.0 110.731 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -90.31 -17.26 27.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.85 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 12.6 mmm180 -106.34 -21.16 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.948 -177.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 63' ' ' LYS . 29.4 m -65.54 140.14 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -92.81 93.4 8.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.986 0.422 . . . . 0.0 111.24 -174.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -74.52 97.17 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.81 163.55 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.9 mt -85.3 80.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.286 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -87.38 -20.65 26.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.389 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.634 ' HB3' ' HB2' ' A' ' 29' ' ' SER . 18.3 t70 -93.33 101.96 14.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.684 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -142.17 171.21 14.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 74' ' ' LEU . 5.7 mp -113.05 109.61 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.019 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.465 ' OE2' ' HA ' ' A' ' 78' ' ' HIS . 3.8 mm-40 -104.11 170.35 7.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.095 0.474 . . . . 0.0 111.501 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 178.33 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.8 t60 175.77 37.6 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.465 ' HA ' ' OE2' ' A' ' 75' ' ' GLU . 4.7 t-160 62.25 -98.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.118 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -179.95 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -167.71 126.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.721 178.189 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.682 ' HG3' ' HG3' ' A' ' 2' ' ' GLU . 15.2 tpt . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.868 0.366 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.682 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 41.2 mt-10 -141.65 -160.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.438 HG22 HD12 ' A' ' 12' ' ' LEU . 57.5 mt -68.97 -58.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m 69.61 125.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.132 -1.394 . . . . 0.0 113.199 168.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 19.7 t -76.29 119.37 77.01 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 173.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -50.48 -46.95 26.76 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.419 2.746 . . . . 0.0 113.458 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -86.8 15.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.437 . . . . 0.0 111.834 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 71.9 m -127.9 -34.89 2.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.62 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m170 63.83 25.44 14.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.409 0.623 . . . . 0.0 109.891 -173.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.48 160.69 31.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.758 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.08 149.4 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD21 ' HB2' ' A' ' 5' ' ' CYS . 22.9 mt -111.35 113.47 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.191 172.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.19 106.31 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.312 0.577 . . . . 0.0 110.792 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 38.5 ttp-105 -76.95 113.53 14.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.931 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 16.59 26.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 110.144 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.93 -82.81 1.1 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.069 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -29.45 69.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.536 0.684 . . . . 0.0 110.698 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.09 158.88 43.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.723 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 28' ' ' PHE . . . -111.03 114.47 27.79 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -97.26 120.3 37.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.622 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 24' ' ' CYS . 11.9 t -79.28 144.8 33.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 109.952 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -34.59 17.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.989 0.9 . . . . 0.0 109.467 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 19.5 p -94.97 85.1 4.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.94 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 23' ' ' THR . 12.9 p 98.18 124.43 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.29 1.436 . . . . 0.0 108.745 -167.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.52 40.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.871 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 24' ' ' CYS . 65.9 tttp -91.39 124.42 35.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.695 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.73 133.98 43.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.371 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HB3' HG23 ' A' ' 70' ' ' ILE . 95.0 m-85 -110.1 102.87 11.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.74 ' HB2' ' HA ' ' A' ' 72' ' ' ASP . 44.4 m -57.19 124.54 19.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.58 176.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' CD1' ' HG3' ' A' ' 14' ' ' ARG . 97.2 mt -101.97 128.69 48.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.119 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.831 HE22 HD12 ' A' ' 74' ' ' LEU . 85.8 mt-30 -119.39 127.05 52.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.02 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -84.84 116.86 23.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.94 162.77 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.126 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 88.0 m -99.01 161.36 25.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.773 0.321 . . . . 0.0 110.598 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.59 -35.64 89.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.556 2.171 . . . . 0.0 111.625 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.84 -27.58 14.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.52 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 25.6 m -100.94 101.61 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.664 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.62 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.705 0.764 . . . . 0.0 108.99 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -88.26 142.93 31.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.601 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.38 120.99 7.02 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.675 2.25 . . . . 0.0 111.602 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 11.6 mt -70.21 -173.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.084 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.49 132.86 42.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.722 HG12 HG13 ' A' ' 50' ' ' VAL . 89.3 t -76.64 104.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.697 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 37.9 mt -105.64 153.65 21.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.427 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -108.81 124.2 50.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.045 0.45 . . . . 0.0 111.581 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.44 95.51 4.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.428 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m 64.62 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.273 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.57 6.1 4.52 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 145.31 26.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.534 0.206 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.722 HG13 HG12 ' A' ' 43' ' ' VAL . 71.8 t -90.41 112.15 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.0 118.06 35.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.032 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 41' ' ' LEU . 88.7 m-85 -88.31 114.11 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.26 0.552 . . . . 0.0 109.901 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 31.1 t80 -150.2 97.33 2.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.44 ' SG ' HD23 ' A' ' 41' ' ' LEU . 3.1 p -78.56 88.58 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.274 0.559 . . . . 0.0 112.271 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -69.35 -22.72 63.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.668 174.011 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.93 126.34 52.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.122 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.25 16.09 63.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.202 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -170.39 -70.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . 135.21 -97.17 0.28 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.096 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 pp -153.46 149.49 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 HD11 ' N ' ' A' ' 61' ' ' ILE . 2.7 mp -128.94 138.8 53.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' HG22 ' A' ' 66' ' ' VAL . 44.3 t -61.12 125.99 25.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 66' ' ' VAL . 25.3 mmtp -65.33 -10.13 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -85.54 -21.01 28.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.161 0.505 . . . . 0.0 110.388 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.16 12.18 20.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.541 HG21 ' HD3' ' A' ' 63' ' ' LYS . 98.2 t -77.74 137.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.857 177.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.3 67.5 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 7.8 p90 -84.59 118.69 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.3 m -124.6 174.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.203 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 28' ' ' PHE . 84.3 mt -82.1 111.95 19.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.64 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -139.05 81.22 1.83 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.74 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 12.1 p-10 -93.87 -16.88 23.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.419 -173.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -124.41 92.01 3.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.846 0.355 . . . . 0.0 111.613 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.831 HD12 HE22 ' A' ' 31' ' ' GLN . 77.8 mt -90.1 -171.38 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 170.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.12 -33.27 75.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.4 m80 68.77 8.8 6.99 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.42 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 51.4 77.21 0.14 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.64 0.587 . . . . 0.0 109.985 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -66.65 93.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.455 0.645 . . . . 0.0 110.757 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -96.05 120.75 36.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.107 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -87.36 119.38 27.57 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 173.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.957 0.786 . . . . 0.0 109.738 -171.379 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -81.39 136.73 35.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.506 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 12' ' ' LEU . 22.2 mt -68.19 109.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.163 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 p -131.34 144.07 50.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.493 ' HB2' HD22 ' A' ' 12' ' ' LEU . 36.8 t -79.65 135.35 56.46 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 57.1 Cg_endo -70.7 -5.33 16.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.189 2.593 . . . . 0.0 113.857 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.88 -48.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.294 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.66 94.98 5.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -60.27 87.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.475 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -147.6 156.02 42.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 131.39 44.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 21' ' ' CYS . 28.3 mt -88.78 155.9 19.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.509 . . . . 0.0 111.435 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.46 96.08 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -72.31 135.67 46.01 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.301 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -138.88 90.6 2.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.688 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.0 -114.62 6.96 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.07 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.12 -24.6 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.407 0.622 . . . . 0.0 110.808 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -108.4 151.23 26.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.317 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -112.45 109.23 18.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.59 172.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -83.07 119.91 25.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.593 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HA ' HD21 ' A' ' 12' ' ' LEU . 21.8 t -78.88 135.6 37.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.99 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -64.4 -89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.747 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.518 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 63.8 p -67.96 146.19 53.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 23' ' ' THR . 19.0 p 54.16 93.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.134 0.896 . . . . 0.0 110.276 -169.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.31 100.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.817 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 mttp -142.86 119.22 10.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.461 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.534 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-10 -103.85 126.02 50.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.662 . . . . 0.0 110.048 173.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.497 ' HB3' HG21 ' A' ' 70' ' ' ILE . 46.6 m-85 -106.62 134.98 48.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.567 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -74.27 125.29 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 19' ' ' ALA . 83.3 mt -100.1 120.31 39.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 73.9 mt-30 -111.58 146.61 37.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.914 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -88.3 120.78 29.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.34 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 33' ' ' LEU . 4.3 mm? -106.52 140.71 38.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.658 ' SG ' HD13 ' A' ' 41' ' ' LEU . 28.4 p -101.13 138.74 20.05 Favored Pre-proline 0 N--CA 1.448 -0.552 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.59 -25.31 74.17 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.833 3.022 . . . . 0.0 114.036 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.78 30.58 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.231 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -91.01 -50.03 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.163 -0.336 . . . . 0.0 111.479 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 60.79 21.26 11.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.349 0.595 . . . . 0.0 110.801 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 44.4 mt-30 -131.28 157.62 77.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 1.5 Cg_endo -43.66 110.57 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.471 2.781 . . . . 0.0 113.811 -174.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.658 HD13 ' SG ' ' A' ' 34' ' ' CYS . 10.0 mp -73.12 148.74 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 172.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 96.4 mt-30 -60.27 116.54 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 111.21 -175.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 2.6 p -71.2 109.58 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.591 0.71 . . . . 0.0 110.536 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 55' ' ' GLN . 59.8 mt -121.25 110.66 16.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.31 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -92.6 89.56 6.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.48 85.83 5.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m 66.3 -83.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.654 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.5 7.67 12.31 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.247 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.39 138.9 54.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.98 114.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' OD2' ' HD2' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -121.77 160.05 25.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.178 -176.402 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 53.1 m-85 -140.18 97.49 3.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.866 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.532 ' HA ' HD21 ' A' ' 41' ' ' LEU . 47.7 p90 -155.51 151.36 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.103 0.478 . . . . 0.0 111.57 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 58' ' ' HIS . 9.0 m -72.16 88.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.047 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.548 ' HB2' HD11 ' A' ' 44' ' ' LEU . 63.3 tt0 -61.03 -45.91 92.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -123.45 149.29 45.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.965 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -25.89 26.67 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.054 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 14.9 t-160 -138.46 -63.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.08 152.93 7.24 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.84 135.69 51.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.203 0.525 . . . . 0.0 110.916 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -103.83 140.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 65' ' ' ARG . 7.1 m -50.06 124.45 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.515 0.509 . . . . 0.0 110.839 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 85.4 tttt -64.26 -25.01 67.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.921 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.97 1.53 52.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.175 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 72.1 ttt180 -116.02 -23.54 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 32' ' ' ALA . 27.0 m -64.49 156.73 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.703 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -108.65 105.42 15.02 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.776 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 26.0 m-85 -81.27 110.21 16.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 177.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.16 174.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 28' ' ' PHE . 78.0 mt -76.79 114.26 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.882 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 m -138.12 125.5 21.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.14 -177.56 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -133.47 2.33 3.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.661 0.267 . . . . 0.0 110.577 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt 63.4 26.49 14.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.58 0.705 . . . . 0.0 109.576 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.61 105.84 16.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.013 -0.994 . . . . 0.0 108.388 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -87.54 19.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.276 -170.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 40.5 t60 75.75 140.98 0.07 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.251 0.62 . . . . 0.0 111.516 172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 t60 67.2 85.9 0.14 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.934 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.02 85.9 2.4 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.203 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -111.33 -26.29 9.21 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 168.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.5 m80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 117.924 -1.036 . . . . 0.0 108.622 170.42 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -64.32 124.38 21.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.507 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -69.06 107.73 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -128.54 134.74 48.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.688 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -69.82 132.55 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 28.2 Cg_exo -61.72 -73.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.109 2.539 . . . . 0.0 113.668 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.26 -28.56 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -96.63 36.99 1.31 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.661 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -42.98 96.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.445 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' HG23 ' A' ' 23' ' ' THR . 16.3 t-80 -178.81 65.1 0.01 OUTLIER 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.687 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 57.01 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 mt -111.26 164.59 12.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.423 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 42.5 tt0 -118.08 110.75 18.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 14' ' ' ARG . 18.9 ptt85 -77.91 128.54 34.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 0.0 111.19 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.54 -16.03 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.066 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.49 -73.68 0.4 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.43 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -88.95 -21.89 23.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.509 . . . . 0.0 110.149 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -127.22 165.14 20.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 28' ' ' PHE . . . -110.98 151.73 27.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -142.16 135.1 28.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.864 0.364 . . . . 0.0 111.008 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.691 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 36.3 m -79.33 112.89 17.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.472 . . . . 0.0 109.803 172.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 4.6 pm0 -86.7 -14.02 43.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.157 0.98 . . . . 0.0 109.449 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 10' ' ' HIS . 11.9 m -93.1 -10.34 36.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.814 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -153.61 -171.57 3.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.85 -167.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.63 68.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.55 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 28.5 mtpp -137.96 135.1 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.11 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -120.79 136.03 55.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' HB3' HG22 ' A' ' 70' ' ' ILE . 61.3 m-85 -116.86 125.36 51.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 111.623 -174.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -76.28 122.26 24.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.673 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.32 125.43 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.156 0.503 . . . . 0.0 111.096 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -111.62 99.71 8.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.161 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.36 98.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.913 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -105.44 148.16 27.47 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.199 0.523 . . . . 0.0 110.987 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' A' ' 41' ' ' LEU . 11.0 p -96.75 110.03 51.39 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.069 176.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.05 -36.27 92.37 Favored 'Trans proline' 0 N--CA 1.473 0.29 0 C-N-CA 123.941 3.094 . . . . 0.0 113.588 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.58 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 27.6 p -84.64 84.45 7.67 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -81.97 89.79 6.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.62 0.724 . . . . 0.0 111.194 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.697 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.8 mt-30 -148.08 158.64 41.47 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.36 117.23 1.88 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.653 HD13 ' SG ' ' A' ' 34' ' ' CYS . 8.8 mp -76.35 176.14 8.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.79 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.56 122.77 30.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.7 t -78.43 99.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.633 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -89.01 89.72 8.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.206 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 50' ' ' VAL . 11.5 pttt -86.09 100.34 12.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 83.61 8.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 m 63.96 24.27 13.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.565 175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.92 -65.47 0.38 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.945 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.77 145.81 30.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.547 0.213 . . . . 0.0 110.816 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' A' ' 45' ' ' LYS . 35.8 m -97.17 148.9 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.087 0.47 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -144.48 130.31 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 54.1 m-85 -93.72 114.51 26.82 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -149.27 129.6 13.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.952 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 59.1 m -71.79 88.67 1.02 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.84 -50.39 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -107.67 -53.21 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.236 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 54' ' ' CYS . . . -91.85 169.25 32.26 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.103 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.697 ' CE1' ' HB2' ' A' ' 39' ' ' GLN . 11.9 m170 71.07 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.28 0.632 . . . . 0.0 111.248 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 148.05 120.22 1.13 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.711 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.3 pt? -59.95 103.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 111.122 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.3 mm -83.44 132.93 30.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 m -49.85 136.69 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.4 0.438 . . . . 0.0 110.228 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HA ' HG21 ' A' ' 66' ' ' VAL . 42.0 tttp -64.27 -19.17 65.22 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -171.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.13 -16.1 59.95 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -104.08 -4.38 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -76.64 125.87 36.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.759 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.35 100.96 12.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.314 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -72.86 100.2 2.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.647 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.99 126.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 28' ' ' PHE . 73.7 mt -73.21 96.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -146.58 109.88 4.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.44 104.69 12.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 172.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -111.93 24.88 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.5 -173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.71 -30.69 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 5.08 39.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.945 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.1 m170 65.03 86.39 0.13 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -167.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.68 106.51 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.54 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -132.61 115.63 15.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.037 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -68.21 -61.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -157.52 -37.44 0.07 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.3 p80 . . . . . 0 C--O 1.245 0.84 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.33 136.77 46.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.994 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -73.6 113.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 63.8 p -116.86 137.67 52.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.734 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 40.9 t -66.68 131.97 94.06 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.48 -25.71 75.05 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.245 2.63 . . . . 0.0 113.559 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG11 ' SG ' ' A' ' 5' ' ' CYS . 7.1 p -101.21 -1.5 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.334 0.588 . . . . 0.0 110.76 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.734 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 58.5 m -112.12 -39.49 4.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.4 m80 60.15 20.33 9.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.696 0.76 . . . . 0.0 109.7 -170.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 25.4 m80 -107.02 145.72 31.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.368 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.64 131.15 41.35 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.305 0.378 . . . . 0.0 110.075 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 21' ' ' CYS . 30.7 mt -85.13 142.1 29.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.461 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.22 124.38 25.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.663 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' THR . 47.7 ttt180 -104.54 98.5 8.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.374 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.94 -87.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.89 57.63 0.92 Allowed Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 14' ' ' ARG . 2.7 t0 61.47 17.53 8.54 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 122.055 0.931 . . . . 0.0 110.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 6.4 m -108.25 140.54 41.34 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' HB1' ' HB2' ' A' ' 12' ' ' LEU . . . -111.23 105.76 14.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 111.791 -170.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -83.47 126.2 32.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.701 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' HA ' HD23 ' A' ' 12' ' ' LEU . 41.8 t -78.98 132.74 36.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.959 0.409 . . . . 0.0 110.769 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -38.36 88.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.041 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -108.99 -33.07 7.02 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -83.39 -9.39 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.509 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 58.23 31.54 20.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.548 0.69 . . . . 0.0 110.666 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -126.05 119.44 27.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.675 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.16 143.18 30.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.283 0.563 . . . . 0.0 110.459 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -105.39 127.91 53.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.678 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -83.38 120.62 26.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.7 mt -100.44 147.33 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.955 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -117.08 124.35 49.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.296 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -72.91 118.05 15.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.371 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -126.99 162.83 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 64.9 m -96.59 125.03 48.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.38 -17.3 27.29 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 121.969 1.78 . . . . 0.0 110.928 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' OD1' ' HB3' ' A' ' 34' ' ' CYS . 6.0 p-10 -91.59 -16.85 26.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 2.3 p -164.8 91.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.484 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -80.87 76.14 7.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.396 0.617 . . . . 0.0 111.922 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HB2' ' HE2' ' A' ' 58' ' ' HIS . 81.1 mm-40 -141.99 165.85 25.19 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.2 123.51 10.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.173 1.915 . . . . 0.0 112.235 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 9.9 mt -80.54 -179.62 7.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.286 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.41 116.77 23.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 t -76.77 103.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.206 0.526 . . . . 0.0 110.483 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.2 104.16 16.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 3.6 ttmp? -90.79 119.44 31.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.57 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.97 -94.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.882 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.14 -68.66 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.47 30.23 6.31 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.19 161.39 30.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.106 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 143.21 34.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.115 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -131.36 167.63 18.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 41' ' ' LEU . 93.7 m-85 -123.22 106.87 11.11 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.04 135.81 18.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.407 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.738 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 23.8 m -78.66 107.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.156 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -81.81 -51.38 8.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -148.47 144.85 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.328 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.76 44.21 7.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.876 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.738 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 3.2 t-80 -169.94 -65.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.068 0.434 . . . . 0.0 110.077 175.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.09 100.74 0.39 Allowed Glycine 0 C--O 1.24 0.527 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.63 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.54 150.14 36.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.167 0.508 . . . . 0.0 111.45 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.461 HD11 ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -128.78 162.99 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 m -71.27 114.73 9.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 8.1 ptmm? -74.17 1.01 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -167.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -24.54 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.53 . . . . 0.0 109.94 169.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 73.0 ttt180 -116.45 29.16 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.712 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 42.4 t -66.95 143.58 15.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.39 83.09 6.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 84.2 m-85 -76.5 103.64 6.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.224 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.26 153.17 7.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.24 123.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -70.76 97.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.954 -173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.13 150.78 28.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.449 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -92.81 4.09 54.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.205 0.526 . . . . 0.0 110.182 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.8 mt -83.79 74.04 10.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.692 175.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.28 -56.75 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.502 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -82.59 106.97 14.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.154 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.18 -14.61 57.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.602 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -110.83 131.08 55.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.72 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -119.18 -77.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -157.52 139.56 14.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.175 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 t60 . . . . . 0 C--O 1.247 0.933 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.642 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.633 0.254 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -95.19 158.9 15.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.595 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 ' H ' HD11 ' A' ' 3' ' ' ILE . 4.4 mp -71.56 142.01 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.444 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 3.5 p -122.56 136.06 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 111.36 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 52.0 t -64.72 139.63 97.82 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 49.9 Cg_exo -56.79 -30.98 86.92 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.229 2.619 . . . . 0.0 113.269 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.28 -54.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 0.0 110.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.47 84.5 1.98 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.317 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.444 ' HA ' ' HB ' ' A' ' 4' ' ' THR . 43.8 m80 -70.36 77.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 172.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -123.83 -71.42 0.72 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.255 -175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.92 141.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.503 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 HG23 ' A' ' 3' ' ' ILE . 49.7 mt -112.0 146.19 38.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 177.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 17.7 mt-10 -87.64 87.78 7.48 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.746 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -84.72 104.98 15.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.008 0.432 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.69 24.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.97 -97.01 0.59 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -105.01 14.01 30.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.512 0.672 . . . . 0.0 110.406 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 m -141.43 133.73 28.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.977 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.79 125.37 52.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.654 0.264 . . . . 0.0 111.017 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' HD2' ' OE2' ' A' ' 13' ' ' GLU . 59.5 t60 -102.06 140.59 36.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.47 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 t -114.42 113.07 24.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.1 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.25 -44.1 72.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.617 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.493 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 38.7 p -66.26 118.45 9.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 23' ' ' THR . 25.4 p 51.54 93.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.486 0.66 . . . . 0.0 110.59 -171.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 93.99 0.01 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.193 -176.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -141.82 130.47 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.396 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.88 128.22 55.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -107.02 128.3 54.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.78 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -78.95 122.97 26.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 88.0 mt -100.73 139.42 36.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.42 -175.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -111.43 124.67 52.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.78 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -68.85 112.94 5.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 HG13 ' A' ' 69' ' ' VAL . 1.9 tp -123.18 155.48 36.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 6.1 m -97.51 141.83 23.62 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 175.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.36 -25.68 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.446 2.097 . . . . 0.0 110.213 168.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 2.9 p-10 -79.15 -84.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.806 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 5.9 p -85.63 99.72 11.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.411 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -83.64 70.93 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.757 0.789 . . . . 0.0 110.258 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.469 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 26.1 mt-30 -143.95 175.01 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.301 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 33.8 Cg_exo -61.66 3.37 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.75 2.3 . . . . 0.0 114.017 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD22 ' SG ' ' A' ' 54' ' ' CYS . 52.1 mt 63.16 -89.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.137 0.575 . . . . 0.0 111.284 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -164.31 119.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.46 118.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 53' ' ' PHE . 97.9 mt -122.42 139.21 54.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.679 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -96.6 148.91 22.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 47' ' ' CYS . . . 73.75 -154.46 0.06 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 124.127 0.892 . . . . 0.0 109.061 -170.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 37.8 t 69.74 -59.98 0.49 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 -173.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.3 -48.5 0.18 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.19 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -121.43 98.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' CG ' ' HZ3' ' A' ' 63' ' ' LYS . 22.7 t0 -104.58 159.03 16.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.773 -166.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.52 96.8 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 45.7 t80 -148.79 105.69 3.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.773 -165.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.448 ' SG ' HD22 ' A' ' 41' ' ' LEU . 9.7 p -89.42 88.54 7.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.976 -174.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -65.01 -43.57 92.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.975 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -110.58 173.19 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.545 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.12 -62.78 4.58 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -105.66 -75.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.9 135.93 2.27 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.071 -175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.645 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.8 pt? -62.81 133.42 54.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 ' HB ' HG21 ' A' ' 66' ' ' VAL . 1.6 mp -113.04 133.22 59.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 66' ' ' VAL . 17.7 m -59.27 137.28 58.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HZ3' ' CG ' ' A' ' 51' ' ' ASP . 38.7 mttt -69.15 2.78 2.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 112.183 -174.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 4.6 tmtm? -86.13 -20.78 28.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 172.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -112.33 -14.18 13.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.142 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 HG13 ' HB1' ' A' ' 32' ' ' ALA . 91.8 t -65.56 139.58 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -84.23 100.24 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.959 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 96.5 m-85 -84.85 107.22 16.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.368 . . . . 0.0 110.734 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG13 HD23 ' A' ' 33' ' ' LEU . 13.6 p -102.1 143.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.15 136.14 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 74' ' ' LEU . 17.2 m -73.25 80.84 1.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.085 0.469 . . . . 0.0 110.399 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -94.08 -47.32 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.114 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.99 97.53 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 110.616 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 71' ' ' SER . 97.9 mt -118.99 93.3 4.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -67.47 -66.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.597 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -87.28 134.45 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -138.15 115.69 11.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 0.0 111.077 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -104.95 73.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.248 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -99.85 -28.38 13.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -100.87 169.02 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.879 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 . . . . . 0 C--O 1.248 0.98 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.046 0.45 . . . . 0.0 110.155 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -114.53 157.97 22.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.259 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -74.62 89.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.581 0.705 . . . . 0.0 111.112 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.6 m -123.73 126.25 46.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.833 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.9 t -75.35 120.63 82.54 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.83 1.39 7.09 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.882 2.388 . . . . 0.0 112.924 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 t -94.28 -31.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.64 -8.32 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.311 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 t60 61.15 32.83 19.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.409 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.24 143.72 44.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 140.08 52.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.009 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 21' ' ' CYS . 72.1 mt -98.53 163.4 12.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.122 0.487 . . . . 0.0 111.798 -172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -95.58 130.03 42.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.731 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.8 110.01 22.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -121.61 87.38 2.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 0.0 109.866 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.22 -118.4 14.33 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.784 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.61 -10.08 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -125.98 135.39 51.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.26 0.552 . . . . 0.0 112.229 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . . . -111.01 112.32 24.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' HD2' ' OE2' ' A' ' 22' ' ' GLU . 71.4 t60 -91.08 129.86 37.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.631 ' SG ' 'ZN ' ' A' ' 150' ' ' ' ZN' . 32.8 t -96.41 110.83 23.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 62.1 mm-40 -65.13 -74.81 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.201 0.313 . . . . 0.0 110.469 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -63.67 130.25 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.62 ' SG ' 'ZN ' ' A' ' 150' ' ' ' ZN' . 14.5 p 48.7 92.45 0.02 OUTLIER 'General case' 0 C--O 1.249 1.064 0 C-N-CA 123.304 0.642 . . . . 0.0 109.938 -166.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -60.96 116.89 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -151.45 123.6 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.396 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.79 112.15 24.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 0.0 110.149 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -99.35 121.34 40.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.664 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.68 17.89 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 25.7 mt -106.08 142.95 34.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.058 0.456 . . . . 0.0 111.544 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -137.6 133.5 34.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.489 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.15 120.76 18.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.683 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.4 159.33 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.244 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 36' ' ' ASP . 0.8 OUTLIER -96.72 115.56 65.73 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 -175.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' HB2' ' A' ' 67' ' ' ASN . 7.8 Cg_exo -72.64 60.15 3.45 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.789 2.326 . . . . 0.0 109.592 171.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.499 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t0 -168.39 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.561 -163.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -27.58 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' H ' ' HB3' ' A' ' 34' ' ' CYS . 54.3 ttt180 58.99 24.95 13.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.851 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 41' ' ' LEU . 77.6 mt-30 -74.75 166.27 46.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 170.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.0 -0.2 3.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.35 2.033 . . . . 0.0 111.865 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 34' ' ' CYS . 77.3 mt 64.68 -174.79 0.17 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.11 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.34 121.24 44.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.595 HG22 ' CE2' ' A' ' 52' ' ' TYR . 17.5 t -73.55 118.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.332 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 mt -111.5 97.82 7.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.406 0.622 . . . . 0.0 110.144 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.01 105.67 15.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.116 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.672 ' HB1' ' HB2' ' A' ' 49' ' ' ALA . . . -98.66 177.75 5.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.5 m -71.83 101.97 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.034 0.445 . . . . 0.0 110.303 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.41 77.34 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.491 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . . . -150.81 151.62 32.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.62 106.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.623 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -110.17 157.12 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' CE2' HG22 ' A' ' 43' ' ' VAL . 27.8 m-85 -130.38 103.95 6.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.03 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' HA ' HD13 ' A' ' 41' ' ' LEU . 29.3 p90 -160.91 149.31 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.3 0.571 . . . . 0.0 111.264 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.42 100.52 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.442 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.01 172.72 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.955 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.48 -57.22 5.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 2.9 t-160 -121.11 -73.12 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.0 162.64 10.06 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.597 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.25 136.73 15.05 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.389 0.676 . . . . 0.0 112.395 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.1 mp -112.17 140.36 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 171.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -53.86 116.15 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 16.6 ptpt -64.73 -9.21 18.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -167.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 7.8 mtpm? -77.63 -31.81 52.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.886 0.374 . . . . 0.0 110.544 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -105.46 2.07 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 88.8 t -68.45 134.27 30.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.525 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 54.1 t30 -83.91 95.77 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.693 -173.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -71.91 107.29 4.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.568 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.12 159.33 2.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.21 113.32 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.21 0.529 . . . . 0.0 110.036 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 t -75.35 81.52 2.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.973 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.53 -58.34 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.552 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -149.61 97.35 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.361 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.21 151.2 26.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.99 3.58 11.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.149 0.499 . . . . 0.0 110.846 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -102.84 11.83 37.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.393 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -63.37 144.84 56.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.71 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -70.88 86.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.143 0.497 . . . . 0.0 110.968 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -89.67 -62.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.477 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -162.77 129.27 3.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.392 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.0 t60 . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.538 177.464 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . 0.631 'ZN ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.982 0.42 . . . . 0.0 110.577 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.483 ' OE1' ' HA ' ' A' ' 11' ' ' ALA . 2.4 tm-20 -105.68 141.22 37.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.512 ' HB ' HD11 ' A' ' 12' ' ' LEU . 36.6 mt -62.89 -54.64 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 110.456 -175.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 m 67.57 128.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.645 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HB2' HD22 ' A' ' 12' ' ' LEU . 52.0 t -74.95 112.79 19.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.14 -23.26 73.03 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.217 2.611 . . . . 0.0 113.514 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.68 7.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 111.685 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -131.63 -27.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.9 16.81 10.63 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.497 0.665 . . . . 0.0 109.963 -177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -95.81 158.96 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.266 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . . . -79.63 123.27 27.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.964 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD11 ' HB ' ' A' ' 3' ' ' ILE . 35.0 mt -68.77 118.45 11.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 111.176 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.28 95.64 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.151 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 17.5 ptt180 -99.94 149.04 23.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.451 0.643 . . . . 0.0 111.166 -174.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -88.4 -9.95 50.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.888 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.05 -59.58 0.67 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.54 -46.69 8.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.17 -0.515 . . . . 0.0 110.974 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 HG23 ' HA ' ' A' ' 29' ' ' SER . 1.1 p -108.42 156.16 19.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . . . -123.46 134.61 53.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -177.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.528 ' HD1' ' CG ' ' A' ' 27' ' ' ASP . 53.0 t60 -112.65 124.52 52.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.717 0.294 . . . . 0.0 110.679 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.1 t -92.92 115.32 28.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -30.24 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.534 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.08 58.49 2.17 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.379 0.609 . . . . 0.0 110.307 176.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 m -177.0 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.009 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.43 22.06 11.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.777 0.798 . . . . 0.0 109.49 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -110.15 126.87 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.836 -176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.528 ' CG ' ' HD1' ' A' ' 20' ' ' HIS . 7.1 m-20 -99.67 130.43 45.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.642 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -98.44 128.29 44.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.183 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.511 ' HA ' HG23 ' A' ' 18' ' ' THR . 15.9 t -99.65 113.22 25.53 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.367 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.0 mp -102.92 164.71 11.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.402 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -111.57 142.13 44.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -82.54 95.81 7.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.062 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . 12.1 tp -97.14 157.44 15.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' HB3' HG13 ' A' ' 61' ' ' ILE . 2.2 p -98.9 108.99 52.07 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.78 0.324 . . . . 0.0 110.14 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.61 -33.86 54.05 Favored 'Trans proline' 0 N--CA 1.474 0.376 0 C-N-CA 123.479 2.786 . . . . 0.0 114.07 -171.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.64 -50.86 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.218 0.532 . . . . 0.0 111.015 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 26.0 p -116.87 82.2 1.76 Allowed 'General case' 0 C--O 1.25 1.079 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.811 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -77.22 88.27 3.66 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.756 0.66 . . . . 0.0 112.238 -168.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.696 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 25.8 mt-30 -153.8 157.76 32.58 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -44.35 124.19 4.98 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.118 2.545 . . . . 0.0 113.103 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 33' ' ' LEU . 5.2 mp -80.74 -178.49 6.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.367 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.545 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 62.3 tt0 -90.86 127.38 36.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.54 103.02 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.141 0.496 . . . . 0.0 110.714 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 81.3 mt -94.17 97.2 10.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.484 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.05 132.15 35.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.961 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.46 -169.36 1.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.44 88.24 3.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.089 0.471 . . . . 0.0 110.308 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -39.99 2.57 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.176 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.73 131.73 34.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 111.072 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.3 107.23 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.344 0.592 . . . . 0.0 110.067 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.89 131.9 38.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 95.4 m-85 -89.94 104.42 16.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.545 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 28.7 t80 -148.98 105.52 3.54 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.4 p -78.73 94.65 5.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.194 0.521 . . . . 0.0 110.62 -177.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -95.91 -57.88 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.07 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -79.46 7.35 8.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.257 0.551 . . . . 0.0 111.164 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -159.05 159.4 30.32 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.725 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 10.5 m170 68.76 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 117.295 0.547 . . . . 0.0 110.763 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.6 131.76 2.26 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -52.25 129.91 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.29 0.567 . . . . 0.0 111.203 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.455 HG13 ' HB3' ' A' ' 34' ' ' CYS . 39.7 mm -101.6 132.11 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.778 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -55.88 133.96 51.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -75.26 8.34 2.78 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.791 0.664 . . . . 0.0 112.791 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -97.88 -56.96 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 171.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -84.4 67.12 9.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.856 0.836 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 32' ' ' ALA . 44.4 t -106.57 140.78 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.779 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 3.7 t-20 -83.46 80.27 9.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -72.67 102.25 3.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.1 p -125.2 142.38 42.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.773 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.428 HG12 ' HG ' ' A' ' 30' ' ' LEU . 35.9 mt -82.13 85.01 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 171.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 m -65.31 116.72 6.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.273 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.82 86.96 4.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -120.07 2.52 10.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.412 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.74 143.04 32.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.6 110.79 3.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.116 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -106.49 14.68 26.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 m170 71.65 118.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.192 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -65.66 -38.61 89.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.1 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -85.48 94.69 9.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.301 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -145.07 165.79 27.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.208 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.1 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.984 -179.647 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtm . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.472 0.177 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 62.25 -173.99 0.14 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.446 0.641 . . . . 0.0 110.767 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.55 99.17 8.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 166.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.551 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 3.0 m -119.13 125.7 49.87 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.514 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.2 t -67.93 122.68 84.78 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -39.91 74.4 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.52 2.813 . . . . 0.0 113.721 -173.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.82 -11.16 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.027 0.442 . . . . 0.0 111.334 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.1 m -103.94 -52.01 3.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.551 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 41.5 t60 54.11 43.2 31.05 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.864 0.84 . . . . 0.0 109.119 -167.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -130.97 25.07 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.061 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.26 -173.97 0.14 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.21 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 5' ' ' CYS . 85.6 mt -144.81 163.49 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.57 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.21 127.35 51.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -79.23 113.05 17.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.906 0.384 . . . . 0.0 110.017 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.85 -15.17 57.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.205 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.04 -77.52 0.23 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.237 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.57 -14.25 16.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 HG21 ' HA ' ' A' ' 29' ' ' SER . 34.3 p -123.6 167.5 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.902 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HB3' HD13 ' A' ' 30' ' ' LEU . . . -110.84 123.15 49.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -97.41 122.65 40.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.965 0.412 . . . . 0.0 110.824 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 4.9 t -92.62 113.86 26.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.438 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -76.55 -57.21 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -66.09 114.46 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 2.9 p 59.14 97.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.7 0.762 . . . . 0.0 109.192 -164.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -70.83 100.73 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.076 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -151.53 149.76 29.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.148 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.95 148.99 33.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.124 0.488 . . . . 0.0 110.659 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 70' ' ' ILE . 79.7 m-85 -120.28 128.89 53.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.47 ' HA ' HG21 ' A' ' 18' ' ' THR . 50.7 m -73.63 125.41 27.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD13 ' HB3' ' A' ' 19' ' ' ALA . 85.6 mt -100.11 135.04 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.206 0.527 . . . . 0.0 111.161 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -118.6 120.98 39.09 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.311 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -66.31 115.66 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.9 tp -125.23 155.28 40.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.575 ' SG ' HG12 ' A' ' 61' ' ' ILE . 5.0 t -105.36 130.62 22.78 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.62 -39.11 67.15 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 C-N-CA 123.203 2.602 . . . . 0.0 113.595 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.24 -14.28 58.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.527 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.29 91.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.284 0.564 . . . . 0.0 110.736 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -85.15 76.23 10.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.698 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mt-30 -147.89 176.24 2.32 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.623 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.698 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 11.4 Cg_endo -56.38 107.5 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.77 1.647 . . . . 0.0 110.893 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 52' ' ' TYR . 77.3 mt -72.96 -171.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.747 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HG2' ' HA ' ' A' ' 54' ' ' CYS . 49.6 mm-40 -80.52 102.3 9.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.63 101.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.21 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.34 117.05 33.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.32 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -85.34 126.04 33.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 0.0 111.309 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.37 -169.25 2.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.699 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p -52.68 -55.47 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.432 . . . . 0.0 111.154 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 38.27 1.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.749 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 166.6 30.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.3 t -120.66 115.22 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.64 117.92 33.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.424 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.481 ' HB3' HD12 ' A' ' 41' ' ' LEU . 97.3 m-85 -89.46 96.78 10.85 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 10.2 t80 -144.99 116.25 7.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 59.9 m -67.65 90.04 0.26 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.8 -37.73 29.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.857 0.361 . . . . 0.0 110.765 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -124.27 -26.41 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.74 24.54 12.16 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.545 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 9.5 t-160 172.41 -60.93 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.8 147.59 6.12 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' H ' HD21 ' A' ' 60' ' ' LEU . 2.4 pt? -54.29 135.94 43.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 110.837 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG12 ' SG ' ' A' ' 34' ' ' CYS . 3.2 mp -102.77 155.82 5.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.395 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 129.36 41.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -68.57 -17.54 64.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -85.57 -2.72 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.995 0.426 . . . . 0.0 110.614 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -110.86 8.69 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.03 103.78 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -74.49 93.85 2.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.083 0.468 . . . . 0.0 111.136 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.75 107.81 5.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.87 169.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.143 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 28' ' ' PHE . 72.2 mt -101.49 112.28 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.8 m -114.83 103.58 11.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.232 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -114.49 -6.09 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.331 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -79.01 -73.45 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.706 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp 56.51 -164.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.046 0.451 . . . . 0.0 111.647 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.02 86.85 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -100.91 -39.86 7.56 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 17.5 t-160 -170.8 49.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 17.2 m-70 68.61 179.77 0.23 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.151 -168.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -96.82 92.1 5.98 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -85.08 124.31 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.986 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.147 176.254 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.709 0.29 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -102.77 155.46 18.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -77.06 125.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.53 ' HB ' ' HA ' ' A' ' 11' ' ' ALA . 1.5 t -155.7 141.87 18.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -60.74 125.57 83.21 Favored Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.88 -60.27 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.975 2.45 . . . . 0.0 113.211 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.94 -23.45 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 0.0 111.438 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -116.13 56.65 0.77 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.511 0.672 . . . . 0.0 109.914 177.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.23 128.24 34.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.765 -172.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.727 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 27.2 t-80 -178.94 -60.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HA ' ' HB ' ' A' ' 4' ' ' THR . . . -175.35 -174.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.749 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HG ' ' N ' ' A' ' 5' ' ' CYS . 13.1 mt -144.31 143.8 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.288 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -107.12 104.28 13.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.035 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.08 114.22 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.292 0.568 . . . . 0.0 110.389 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' N ' HD21 ' A' ' 15' ' ' ASN . 0.9 OUTLIER -90.31 -1.76 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.91 -55.06 0.74 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.491 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -85.43 -35.22 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.173 0.511 . . . . 0.0 110.548 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -139.76 165.55 26.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.229 0.538 . . . . 0.0 111.516 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.62 110.92 21.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -93.61 133.93 36.43 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.748 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 10.7 m -79.35 150.69 31.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.793 0.806 . . . . 0.0 110.749 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.727 ' OE2' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -78.58 -72.42 0.38 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.837 -166.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -105.32 1.95 28.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.81 0.814 . . . . 0.0 110.003 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -112.05 138.11 49.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.461 174.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.79 75.86 6.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.44 . . . . 0.0 111.039 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 26.1 mtpp -138.48 141.27 39.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -133.4 120.85 21.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -98.8 139.39 34.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.818 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -78.7 125.02 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.07 132.12 45.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.772 0.32 . . . . 0.0 110.245 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -111.96 128.05 56.05 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -65.58 98.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.762 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 151.42 20.81 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.735 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.562 ' SG ' ' HG ' ' A' ' 41' ' ' LEU . 1.9 p -96.2 109.03 45.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' HG22 ' A' ' 61' ' ' ILE . 23.6 Cg_endo -60.97 -49.51 8.1 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 123.368 2.712 . . . . 0.0 113.691 -172.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.45 -57.49 11.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 110.383 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 26.4 p -105.49 85.18 2.2 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 46.4 ttp180 -74.28 91.21 2.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.87 0.843 . . . . 0.0 111.412 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -171.95 165.48 4.07 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 113.951 -1.477 . . . . 0.0 107.8 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 82.6 Cg_exo -42.12 149.24 0.31 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 123.619 2.879 . . . . 0.0 113.962 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.562 ' HG ' ' SG ' ' A' ' 34' ' ' CYS . 5.2 mp -112.39 -171.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.358 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 6.5 tp60 -84.75 129.13 34.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.8 t -79.27 103.92 6.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.29 130.64 41.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.869 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.9 125.96 47.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.04 170.06 8.78 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.4 p -56.96 -45.22 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.0 111.648 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.48 30.23 3.48 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.521 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -158.09 156.11 30.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.975 0.416 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.39 106.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.43 139.29 34.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.035 0.445 . . . . 0.0 111.461 -172.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 55.8 m-85 -96.25 108.22 20.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 7.0 t80 -151.16 105.84 3.27 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 2.1 p -80.02 88.27 5.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.832 -174.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -78.44 -68.67 0.62 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.412 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -89.61 111.49 22.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.585 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.38 -51.6 0.8 Allowed Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.644 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.6 m170 -116.45 -58.12 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.603 -0.351 . . . . 0.0 110.31 -177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.22 -98.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.254 175.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.86 107.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 HG22 ' HD2' ' A' ' 35' ' ' PRO . 20.4 mm -88.67 125.45 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.043 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t -51.37 132.72 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.238 0.336 . . . . 0.0 110.163 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HA ' HG21 ' A' ' 66' ' ' VAL . 65.9 pttt -64.0 -13.81 49.33 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.736 -173.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -86.43 -15.03 41.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 0.0 110.208 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -111.0 -6.77 14.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 -176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG12 ' HB1' ' A' ' 32' ' ' ALA . 59.2 t -61.44 119.33 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' ND2' ' HB ' ' A' ' 69' ' ' VAL . 6.1 t30 -92.63 99.7 12.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 -175.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.42 103.1 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' HB ' ' ND2' ' A' ' 67' ' ' ASN . 12.7 p -117.21 147.91 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.895 0.379 . . . . 0.0 111.505 -172.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.92 127.76 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.819 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -110.87 166.59 10.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.782 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -68.13 106.12 2.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -118.09 -20.72 8.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.921 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 76' ' ' HIS . 53.7 tp -84.18 121.57 27.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 66.47 -18.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 170.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' H ' ' C ' ' A' ' 74' ' ' LEU . 52.7 m80 -79.26 9.63 4.43 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.027 -0.421 . . . . 0.0 111.888 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -85.79 -7.4 58.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.91 148.11 28.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -152.41 129.42 11.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.243 0.544 . . . . 0.0 111.769 -172.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -154.28 -39.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.153 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.9 p80 . . . . . 0 C--O 1.242 0.677 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.504 172.02 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.682 0.277 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -119.18 127.34 53.21 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD13 ' HB2' ' A' ' 12' ' ' LEU . 1.1 pp -77.91 127.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -115.27 155.62 26.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.581 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' SG ' HG13 ' A' ' 7' ' ' VAL . 42.5 t -75.95 111.73 16.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.68 -25.73 76.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.871 2.381 . . . . 0.0 112.856 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.488 HG13 ' SG ' ' A' ' 5' ' ' CYS . 7.4 p -93.4 -7.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.292 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -124.29 -17.11 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 64.25 12.72 7.38 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.767 0.794 . . . . 0.0 110.283 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -100.4 150.71 22.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.012 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.57 135.47 43.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.7 mt -84.72 117.7 23.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.344 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.89 119.55 15.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.056 -0.657 . . . . 0.0 109.533 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 ttp85 -83.65 111.94 19.58 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.774 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.73 0.776 . . . . 0.0 109.233 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.26 -77.64 0.34 Allowed Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.882 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.14 -14.19 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.446 0.641 . . . . 0.0 110.181 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.416 HG21 ' HB3' ' A' ' 27' ' ' ASP . 24.8 m -138.16 146.25 42.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -110.87 140.58 45.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -127.83 129.16 46.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 44.3 t -97.48 125.72 42.32 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.752 174.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 5.0 mm-40 -77.59 -28.38 51.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 111.259 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -85.77 18.05 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.568 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.57 ' SG ' ' HE2' ' A' ' 26' ' ' LYS . 12.7 m -146.6 -37.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.872 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.35 17.8 5.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.306 0.642 . . . . 0.0 110.176 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 46.7 mtmt -91.49 144.31 25.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.956 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.416 ' HB3' HG21 ' A' ' 18' ' ' THR . 32.0 m-20 -114.55 130.0 56.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.84 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -112.09 136.43 51.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -80.85 136.45 36.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 19' ' ' ALA . 98.6 mt -111.5 132.61 54.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.905 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -112.28 136.74 51.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.175 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.99 114.35 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.546 ' HG ' ' HA ' ' A' ' 38' ' ' ARG . 3.0 mp -111.59 147.36 35.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.623 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' A' ' 61' ' ' ILE . 57.7 m -96.68 150.93 37.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.955 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.9 Cg_exo -65.81 -26.93 52.06 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.604 2.203 . . . . 0.0 112.074 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.6 -29.74 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.37 101.78 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.15 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -89.41 48.41 1.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.766 0.793 . . . . 0.0 110.549 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -103.87 176.98 1.55 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.049 172.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 34.7 Cg_exo -64.57 9.94 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.483 2.122 . . . . 0.0 113.438 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD21 ' SG ' ' A' ' 54' ' ' CYS . 51.8 mt 54.04 -102.97 0.16 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.368 0.667 . . . . 0.0 111.258 177.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 52.6 tt0 -147.61 107.14 3.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.97 121.79 22.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.74 0.781 . . . . 0.0 111.751 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 mt -114.56 145.35 42.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.683 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -134.52 133.5 40.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 0.0 110.846 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 115.62 17.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.822 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.2 m 62.65 -87.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.746 0.654 . . . . 0.0 110.722 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.58 4.11 5.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.03 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.26 145.99 29.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 m -121.17 143.26 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.37 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.52 132.0 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.51 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 89.4 m-85 -97.2 102.93 14.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 9.4 t80 -140.99 119.15 12.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.961 -167.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' HD21 ' A' ' 41' ' ' LEU . 87.4 m -66.96 130.05 41.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 110.257 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -114.22 -77.33 0.57 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.09 113.71 26.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.18 -43.63 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.779 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.0 t-160 -122.71 -67.2 0.97 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.231 0.539 . . . . 0.0 109.719 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.97 177.13 14.72 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.68 139.0 47.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.408 0.623 . . . . 0.0 111.12 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 HG13 ' SG ' ' A' ' 34' ' ' CYS . 30.9 mm -115.96 132.22 66.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.427 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -55.17 113.5 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -75.12 8.32 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -98.92 4.8 47.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -122.03 -0.42 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.977 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.86 155.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.184 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -98.76 100.04 11.2 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.88 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -77.62 108.75 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.12 150.29 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.054 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.94 107.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.9 t -140.0 -179.41 5.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -105.17 -175.09 2.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -87.69 -53.18 4.91 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.5 mt -145.08 146.61 31.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.282 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -81.75 113.84 19.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.39 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -132.22 -60.13 0.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.764 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.414 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 17.4 m80 52.07 -99.56 0.08 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.916 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 55.8 t60 175.99 134.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -53.86 -63.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.515 0.509 . . . . 0.0 111.502 -173.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -125.89 -84.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.833 177.324 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' SD ' ' NZ ' ' A' ' 64' ' ' LYS . 69.8 mtm . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.27 121.36 32.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.0 mp -79.75 110.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -101.68 136.71 41.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.344 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HB2' HD23 ' A' ' 12' ' ' LEU . 47.8 t -64.67 128.67 93.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.261 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.76 -23.29 35.89 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.366 2.044 . . . . 0.0 112.073 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.66 -60.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.12 -16.48 49.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.766 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 55.62 45.21 25.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.046 0.927 . . . . 0.0 109.738 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -132.27 146.12 51.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.888 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 135.9 56.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 111.484 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 5' ' ' CYS . 62.7 mt -82.77 154.95 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 109.54 20.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -89.9 111.25 22.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.087 0.47 . . . . 0.0 110.556 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -94.81 -10.38 31.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.472 0.654 . . . . 0.0 109.697 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 103.0 116.43 4.2 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 25.4 t70 73.19 -35.48 0.32 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.115 0.566 . . . . 0.0 111.236 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 16' ' ' GLY . 4.4 m -117.12 133.55 55.86 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.828 0.347 . . . . 0.0 110.567 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 30' ' ' LEU . . . -110.88 115.99 30.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.027 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -110.61 125.71 53.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.015 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.869 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 52.3 t -79.57 129.73 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.855 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.9 -27.68 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -107.94 16.77 23.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.959 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 95.6 m -137.48 173.11 12.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.225 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.86 24.32 12.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.557 0.694 . . . . 0.0 109.163 173.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -101.06 142.98 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.067 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -118.25 121.26 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.301 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -104.15 133.92 48.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.5 m -81.0 121.76 26.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.494 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD12 ' HB1' ' A' ' 19' ' ' ALA . 76.0 mt -100.5 113.22 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.0 110.595 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.97 139.22 47.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.617 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -91.52 112.99 25.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 -177.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -110.94 162.84 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.558 ' SG ' HD12 ' A' ' 41' ' ' LEU . 24.9 p -123.81 156.14 65.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.685 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.23 146.7 9.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.62 2.88 . . . . 0.0 112.346 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.59 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.409 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.615 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.4 p -82.41 78.1 9.1 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.452 0.644 . . . . 0.0 110.859 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' CYS . 86.0 mtt-85 -79.56 6.15 11.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.408 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.916 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 37.2 mt-30 -112.25 -57.44 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.916 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -61.77 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 121.964 1.776 . . . . 0.0 112.178 170.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.654 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 2.6 mp -148.52 152.71 37.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.546 167.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.1 mt-30 -91.38 113.44 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.6 t -78.66 88.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.34 0.591 . . . . 0.0 109.869 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.059 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -90.34 95.96 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.13 158.86 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.151 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -67.64 109.75 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.89 61.5 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.692 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.28 99.15 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.098 0.475 . . . . 0.0 111.341 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.03 116.43 46.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.46 126.43 38.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.919 0.39 . . . . 0.0 111.865 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.502 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 58.2 m-85 -86.9 101.13 13.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 165.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 30.9 t80 -146.12 118.84 8.61 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.719 -167.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 90.3 m -77.21 131.02 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.267 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -119.81 -39.19 2.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -109.01 150.62 27.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.705 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.19 -81.19 1.76 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.274 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -79.73 -69.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.379 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.84 168.01 11.42 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 pp -73.85 134.75 43.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.28 0.562 . . . . 0.0 110.865 -177.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.46 126.75 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.251 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -55.05 131.26 44.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' HA ' HG21 ' A' ' 66' ' ' VAL . 27.6 ttmt -60.51 -24.03 65.0 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' NZ ' ' SD ' ' A' ' 1' ' ' MET . 48.5 tttm -71.63 -11.04 60.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.207 0.527 . . . . 0.0 110.584 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.506 ' HA ' ' NE ' ' A' ' 65' ' ' ARG . 3.9 mmp_? -119.4 0.59 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.328 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 32' ' ' ALA . 67.9 t -78.58 131.2 34.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -85.86 91.78 8.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.735 0.303 . . . . 0.0 111.382 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.6 97.14 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.22 166.67 19.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.993 0.425 . . . . 0.0 111.248 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' HA ' ' O ' ' A' ' 29' ' ' SER . 53.0 mt -77.63 104.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 p -81.44 25.16 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.797 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.19 -166.23 1.1 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.985 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER 66.64 -162.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.958 0.503 . . . . 0.0 110.579 -177.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 mt -131.48 133.08 44.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.404 0.621 . . . . 0.0 112.618 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.752 ' HG3' ' H ' ' A' ' 77' ' ' HIS . 4.1 tp10 -77.02 -36.77 55.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.24 166.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 67.48 5.81 4.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.35 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.752 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 83.2 t60 59.1 76.83 0.34 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 110.538 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -95.91 57.33 1.8 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.772 . . . . 0.0 110.727 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -110.69 138.41 47.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.404 ' HB2' ' H ' ' A' ' 81' ' ' HIS . 27.9 m80 64.77 -88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -167.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' H ' ' HB2' ' A' ' 80' ' ' HIS . 16.9 p80 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 123.998 0.919 . . . . 0.0 109.251 172.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 72.72 156.62 0.17 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.126 0.891 . . . . 0.0 111.36 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.567 HG13 ' HB2' ' A' ' 12' ' ' LEU . 11.6 pt -71.36 128.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.581 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -124.74 144.99 49.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HB2' HD21 ' A' ' 12' ' ' LEU . 45.6 t -78.75 131.62 67.03 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.19 23.43 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.136 2.557 . . . . 0.0 112.868 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 5' ' ' CYS . 67.0 t -135.14 -57.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.0 115.31 30.05 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.436 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -69.0 81.36 0.31 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.556 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -145.56 157.35 44.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.438 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.567 ' HB2' HG13 ' A' ' 3' ' ' ILE . 39.5 mt -91.5 167.01 12.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.13 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.68 150.85 40.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.18 132.32 36.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.315 -176.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.9 33.93 5.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.137 0.494 . . . . 0.0 110.131 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 -100.63 2.69 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.136 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.19 3.36 53.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 111.085 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -147.35 154.52 41.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.337 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.0 145.08 39.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -105.43 135.05 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.123 0.487 . . . . 0.0 111.143 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' HA ' HD23 ' A' ' 12' ' ' LEU . 9.0 t -108.23 123.43 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.671 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.74 -77.69 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.284 . . . . 0.0 110.238 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 130.62 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p 50.86 91.15 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.584 0.707 . . . . 0.0 109.84 -164.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 117.74 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.467 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -151.42 156.16 40.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.055 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -130.38 114.76 15.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.109 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.502 ' HB3' HG22 ' A' ' 70' ' ' ILE . 75.4 m-85 -98.49 134.87 40.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.746 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -72.18 124.6 25.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -101.43 145.79 28.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.493 0.663 . . . . 0.0 111.623 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.409 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 52.3 tt0 -124.76 128.79 49.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.27 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -81.15 123.12 28.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 0.0 111.217 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD21 ' HG3' ' A' ' 38' ' ' ARG . 12.2 tp -131.71 154.08 49.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 p -115.66 126.26 27.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.897 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.48 -12.07 33.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.718 2.945 . . . . 0.0 112.586 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.61 -32.09 69.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.588 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 28.4 p -143.2 -38.56 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.225 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HG3' HD21 ' A' ' 33' ' ' LEU . 51.5 ttp180 66.64 14.96 9.98 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.243 1.021 . . . . 0.0 109.05 -173.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 2.5 mp0 -86.57 107.73 14.99 Favored Pre-proline 0 C--O 1.254 1.325 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.961 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -20.1 103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.254 1 C-N-CA 125.895 4.397 . . . . 0.0 113.17 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.913 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 8.2 mp -51.67 -86.14 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 -168.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.612 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.8 tp60 168.97 107.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 2.6 p -73.43 110.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.771 0.796 . . . . 0.0 110.128 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 23.0 mt -105.67 115.71 30.71 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.336 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -107.89 142.63 37.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.929 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.86 -91.07 0.55 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -147.02 94.63 2.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 -44.42 2.85 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.365 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.64 31.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 110.722 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.36 119.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.722 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.5 m-20 -110.15 158.21 18.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.925 0.393 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 43.1 m-85 -132.37 110.23 10.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 2.2 t80 -153.3 118.67 5.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -172.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.913 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 76.8 m -67.48 88.53 0.21 Allowed 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -77.14 -32.4 56.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -129.21 168.62 15.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.625 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.99 -63.67 3.81 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.152 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 10.2 t-160 -93.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.75 152.3 6.73 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.632 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.7 pt? -55.69 119.2 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.1 mp -81.11 150.16 4.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.594 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -55.6 117.89 4.02 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 172.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -55.75 -32.38 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.265 -171.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -91.67 10.85 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -116.37 -1.2 12.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -72.71 120.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.621 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.13 98.77 8.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.24 97.35 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 172.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -102.46 161.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.828 -176.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.502 HG22 ' HB3' ' A' ' 28' ' ' PHE . 74.6 mt -69.65 116.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.187 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 11.8 t -72.34 103.51 3.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.292 0.567 . . . . 0.0 110.034 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -143.87 144.5 31.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.982 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -113.23 4.15 16.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 tp -134.03 97.64 3.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -98.55 129.01 45.09 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 163.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -74.3 -52.5 12.07 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -168.54 141.54 2.97 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -77.74 25.2 0.2 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -167.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -86.36 70.92 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.714 0.769 . . . . 0.0 109.13 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -129.73 15.64 5.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.367 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.67 -179.322 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' HG2' HG23 ' A' ' 4' ' ' THR . 53.3 tt0 -132.22 -72.77 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.441 -176.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.446 HG22 HD11 ' A' ' 12' ' ' LEU . 55.8 mt 67.19 -74.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.647 0.592 . . . . 0.0 111.244 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.527 HG21 ' HA ' ' A' ' 11' ' ' ALA . 41.2 p 63.08 137.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.914 1.286 . . . . 0.0 113.329 177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.618 ' SG ' HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -87.81 142.49 32.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.689 176.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.21 -35.49 91.16 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.236 2.624 . . . . 0.0 112.143 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.441 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 27.5 m -112.48 160.69 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 7' ' ' VAL . 16.7 p 41.4 49.47 3.46 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 123.394 0.434 . . . . 0.0 109.938 -174.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 20.2 t-80 -48.58 -95.29 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.875 1.359 . . . . 0.0 113.805 -172.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' H ' ' HB3' ' A' ' 9' ' ' HIS . 2.9 t-160 41.32 -88.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.19 0.996 . . . . 0.0 112.265 -167.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HA ' HG21 ' A' ' 4' ' ' THR . . . -155.87 167.56 30.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.618 HD21 ' SG ' ' A' ' 5' ' ' CYS . 34.7 mt -128.17 146.33 50.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.66 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -108.36 144.07 36.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.202 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -82.81 100.99 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.901 0.381 . . . . 0.0 110.362 175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -88.5 55.59 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.27 -106.63 1.98 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.774 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.79 -15.3 48.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -108.38 161.78 14.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.273 -173.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HB2' HD12 ' A' ' 30' ' ' LEU . . . -110.93 110.72 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -96.84 136.86 36.8 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.374 -174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.75 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 11.0 m -78.85 131.07 36.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.99 0.424 . . . . 0.0 110.193 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.68 -58.51 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.657 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -98.57 18.02 17.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.262 1.03 . . . . 0.0 109.138 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.75 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -142.18 140.25 32.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.102 -173.048 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.94 78.99 9.79 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.7 tppt? -151.34 149.37 29.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.579 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.08 127.51 34.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.481 ' HB3' HG22 ' A' ' 70' ' ' ILE . 57.4 m-85 -108.07 148.43 29.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.916 0.388 . . . . 0.0 111.319 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -88.37 135.0 33.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' HB2' ' A' ' 19' ' ' ALA . 86.0 mt -105.9 131.3 53.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -111.66 109.6 19.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.661 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' O ' ' HD2' ' A' ' 52' ' ' TYR . . . -81.07 97.53 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD23 ' HG3' ' A' ' 38' ' ' ARG . 13.1 tp -106.37 162.79 13.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.097 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 2.6 p -96.24 115.29 65.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.257 0.551 . . . . 0.0 109.574 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HB3' ' HB2' ' A' ' 67' ' ' ASN . 82.4 Cg_endo -78.16 10.97 2.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.441 2.761 . . . . 0.0 113.767 -171.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -123.47 -61.99 1.35 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.055 0.455 . . . . 0.0 109.841 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -94.53 49.28 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.092 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' HG3' HD23 ' A' ' 33' ' ' LEU . 10.7 ttp180 -51.97 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.852 0.834 . . . . 0.0 112.779 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.489 ' O ' HD13 ' A' ' 41' ' ' LEU . 52.6 mt-30 -150.19 158.16 36.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.27 117.0 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.354 2.036 . . . . 0.0 112.351 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 39' ' ' GLN . 6.9 mp -78.4 -177.73 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -97.01 138.4 34.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 110.146 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.01 94.24 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.827 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 53' ' ' PHE . 81.6 mt -85.62 107.35 17.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 110.429 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.51 98.98 10.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.556 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 96.51 9.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.689 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m 62.79 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.73 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.93 5.27 5.07 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.99 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.53 125.23 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -100.15 118.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.305 -177.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.8 123.11 48.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.735 172.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' HD2' ' O ' ' A' ' 32' ' ' ALA . 2.2 t80 -86.25 101.35 12.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' HB3' HD13 ' A' ' 44' ' ' LEU . 27.9 t80 -140.8 141.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.745 -167.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 25.8 m -70.09 124.61 24.51 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 174.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -156.55 146.84 21.36 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.282 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 50.36 54.23 11.51 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.061 0.851 . . . . 0.0 111.707 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.25 -58.71 0.62 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.298 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 8.0 t-80 -66.57 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' N ' ' HB3' ' A' ' 54' ' ' CYS . . . 154.25 -108.92 0.39 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.461 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp 174.63 150.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.801 0.841 . . . . 0.0 108.741 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.477 HD13 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -128.64 147.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 t -62.66 130.46 45.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 66' ' ' VAL . 33.2 mtpt -72.36 8.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 0.0 110.989 -174.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -93.75 -17.88 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.628 174.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 65' ' ' ARG . 5.4 mtm180 -123.55 22.92 9.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.429 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 63' ' ' LYS . 61.2 t -73.52 133.92 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' HB2' ' HB3' ' A' ' 35' ' ' PRO . 55.2 t30 -88.09 96.79 10.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.37 . . . . 0.0 110.246 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.57 108.31 15.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.12 130.69 43.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.481 HG22 ' HB3' ' A' ' 28' ' ' PHE . 73.8 mt -80.93 115.45 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.064 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 m -111.98 113.41 25.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.1 114.81 29.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -78.22 170.26 16.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.057 0.456 . . . . 0.0 111.523 -173.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.689 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.2 pt? -107.61 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.18 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -29.71 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -80.84 91.34 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 111.537 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -156.08 103.84 2.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.783 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.434 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 12.8 p80 -179.64 158.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.434 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 18.6 t-80 75.27 103.98 0.07 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.872 0.733 . . . . 0.0 112.141 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -129.51 82.88 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.166 -177.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.71 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 10.6 ptt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.71 ' H ' ' HG3' ' A' ' 1' ' ' MET . 35.8 mm-40 59.98 -168.0 0.17 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.984 0.513 . . . . 0.0 110.755 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.59 125.37 58.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.7 p -134.86 161.08 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.669 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -67.47 118.0 52.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.021 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 -26.2 41.18 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.406 2.071 . . . . 0.0 112.587 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.45 -36.35 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.961 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -97.38 -12.25 22.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.376 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.488 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 5.9 m170 60.5 -178.65 0.1 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.35 -171.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 56.5 m80 74.03 163.9 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.827 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.93 167.73 20.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.352 0.596 . . . . 0.0 112.31 -172.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -116.17 157.29 25.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.259 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -105.82 131.55 53.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -81.53 100.88 9.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -71.15 -29.5 65.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.212 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.17 -75.2 0.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.4 -9.43 29.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.587 0.708 . . . . 0.0 109.794 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.58 155.72 48.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.354 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -111.07 124.69 52.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.11 132.43 45.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.122 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.761 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 62.3 m -79.29 138.43 37.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.494 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -77.14 -60.1 2.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.168 0.509 . . . . 0.0 111.228 176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 p -85.27 13.84 5.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.176 -170.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.761 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -161.0 145.35 13.66 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -170.165 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.53 74.01 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.406 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -143.28 127.14 17.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.077 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.57 125.58 53.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.497 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.0 m-85 -100.96 131.57 46.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.878 -176.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -76.52 124.97 28.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 19' ' ' ALA . 89.5 mt -100.29 143.49 30.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -133.83 123.67 25.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -75.56 103.87 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 38' ' ' ARG . 12.4 tp -112.3 156.37 22.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.367 -174.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' HD2' ' A' ' 35' ' ' PRO . 14.3 t -98.47 142.32 24.4 Favored Pre-proline 0 N--CA 1.45 -0.434 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.466 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 60.0 Cg_exo -53.46 -32.41 62.71 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.124 2.55 . . . . 0.0 113.997 -177.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.08 -33.55 9.21 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.789 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.792 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 3.7 p -121.57 134.35 55.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.531 0.681 . . . . 0.0 110.953 -175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' HD12 ' A' ' 33' ' ' LEU . 63.7 mtt85 -115.0 18.35 16.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.534 -172.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.603 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 22.2 mt-30 -145.47 -55.41 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.467 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.792 ' HD2' ' HB2' ' A' ' 37' ' ' CYS . 12.1 Cg_exo -72.46 24.87 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.942 2.428 . . . . 0.0 114.808 -171.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.972 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 7.1 mp -84.07 132.53 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.882 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.8 mm-40 -84.08 142.08 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.45 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.6 97.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.125 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 28.5 mt -88.34 117.83 27.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' HG2' HG13 ' A' ' 50' ' ' VAL . 81.0 mttt -99.82 118.27 35.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.153 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.71 83.31 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t 66.88 -75.42 0.06 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.811 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.66 -17.75 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.444 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.18 146.65 25.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.509 HG13 ' HG2' ' A' ' 45' ' ' LYS . 17.3 m -114.55 137.56 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.892 0.377 . . . . 0.0 111.087 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -133.53 123.18 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.164 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 7.8 m-85 -86.55 116.92 25.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.615 0.721 . . . . 0.0 110.333 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.1 t80 -149.12 99.58 2.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.607 -170.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.972 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 5.6 p -78.68 88.31 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.664 -171.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -77.25 -34.15 55.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.0 109.568 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.32 123.81 50.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.459 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.49 2.92 40.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 7.6 t60 -172.3 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.162 0.506 . . . . 0.0 109.9 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.9 161.38 10.28 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.491 HD11 ' O ' ' A' ' 60' ' ' LEU . 1.1 pp -57.72 131.3 49.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.343 0.592 . . . . 0.0 111.634 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.66 HD13 ' SG ' ' A' ' 54' ' ' CYS . 1.5 mp -103.75 157.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.61 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -73.38 119.73 18.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 168.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HA ' HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -73.65 8.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.479 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -93.7 -8.05 41.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.38 -16.54 11.43 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.69 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 63' ' ' LYS . 28.5 m -60.07 144.07 13.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.038 0.447 . . . . 0.0 110.928 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -99.23 101.66 13.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.82 102.53 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.58 148.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 28' ' ' PHE . 70.9 mt -84.59 121.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.027 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -82.9 81.52 8.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -110.89 -21.84 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -89.99 77.32 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.1 tp -106.14 -15.96 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.301 0.572 . . . . 0.0 109.703 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -79.1 143.48 35.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.763 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.1 t60 59.41 65.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.79 130.59 44.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.436 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -58.27 111.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.237 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -162.26 162.07 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -92.85 -42.04 9.74 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.312 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.9 t60 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.484 179.157 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.071 0.462 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -108.27 34.42 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 HD12 ' A' ' 12' ' ' LEU . 29.5 mm 67.31 90.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.278 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -124.77 134.62 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.726 -173.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 41.9 t -76.54 140.03 67.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.457 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 14.2 Cg_endo -56.81 -22.61 46.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.434 2.756 . . . . 0.0 113.344 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.83 2.97 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.074 0.464 . . . . 0.0 110.571 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.81 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 60.3 m -138.28 68.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.656 0.741 . . . . 0.0 109.764 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -76.63 100.19 5.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.777 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -167.41 -52.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.989 168.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.13 156.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.213 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 5' ' ' CYS . 41.9 mt -115.89 175.41 5.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -94.5 114.27 26.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' A' ' 18' ' ' THR . 35.5 ttp180 -78.58 93.53 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.636 0.731 . . . . 0.0 109.607 176.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -107.94 105.05 14.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.729 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 37.49 75.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.607 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 64.8 13.4 8.44 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.604 0.716 . . . . 0.0 110.647 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 m -111.14 168.05 9.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -110.74 102.57 11.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.199 0.523 . . . . 0.0 111.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -97.07 123.62 40.86 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 52.5 t -78.85 125.75 29.79 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.921 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -59.6 -47.02 87.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.269 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -89.59 -37.05 14.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.84 -17.84 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.112 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.74 17.59 9.95 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.497 0.498 . . . . 0.0 111.456 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -94.03 148.63 21.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.49 113.13 26.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 69.9 m-85 -102.68 121.47 42.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.501 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.9 t -82.67 147.65 28.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.166 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 19' ' ' ALA . 3.9 mm? -99.68 112.53 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.8 134.91 53.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.906 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 52' ' ' TYR . . . -79.78 101.22 8.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.91 143.72 28.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.147 0.499 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.54 118.7 56.94 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.03 -42.93 37.62 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 114.069 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.43 -20.43 60.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.645 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 p -147.53 91.06 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 111.114 -173.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -78.5 82.37 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.72 0.771 . . . . 0.0 109.787 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -151.86 175.03 3.12 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.937 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 95.44 0.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.336 1.357 . . . . 0.0 110.648 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.707 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp -43.95 -53.39 6.22 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.809 0.693 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.55 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 15.8 tp60 169.98 110.5 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 52' ' ' TYR . 22.7 t -78.52 95.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.473 0.654 . . . . 0.0 111.445 -169.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.22 116.62 28.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.953 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -105.05 135.59 46.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.497 -172.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.89 -154.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.809 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.95 -58.71 3.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.797 0.332 . . . . 0.0 110.613 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.87 43.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.447 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.28 135.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.85 129.29 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.78 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -118.89 142.61 47.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.985 -174.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.491 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 51.9 m-85 -111.2 103.58 12.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.264 0.554 . . . . 0.0 109.544 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.55 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 66.1 t80 -132.86 121.89 23.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.772 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.858 ' HB3' ' H ' ' A' ' 59' ' ' GLY . 43.1 m -67.17 116.12 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -173.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.49 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.759 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.78 -27.73 12.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.835 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -11.02 84.29 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.68 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 9.4 t-160 -174.88 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.387 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.858 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 158.03 157.93 8.71 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -57.03 138.63 54.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 111.876 -174.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mm -120.91 139.18 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -52.68 115.0 1.58 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HA ' HG22 ' A' ' 66' ' ' VAL . 58.4 tttt -64.76 -22.98 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -167.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -75.26 -17.36 60.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.901 0.382 . . . . 0.0 110.445 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -106.94 -0.12 23.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.399 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 HG13 ' HB1' ' A' ' 32' ' ' ALA . 60.4 t -78.53 139.83 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.672 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -78.99 87.08 4.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.357 . . . . 0.0 111.613 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' HZ ' ' HE3' ' A' ' 63' ' ' LYS . 48.1 m-85 -77.0 97.36 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -118.96 158.18 20.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.96 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.487 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.4 pt -81.01 70.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.92 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 p 54.45 -167.22 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.647 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -142.22 178.17 7.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.73 -69.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.766 ' HG ' ' H ' ' A' ' 75' ' ' GLU . 14.4 tp 50.38 -149.77 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.89 0.744 . . . . 0.0 110.734 174.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.766 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 5.6 mp0 -93.93 139.36 31.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -86.04 17.67 3.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.137 0.494 . . . . 0.0 110.78 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -92.33 111.95 23.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.685 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -66.26 129.34 39.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.394 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -83.07 75.69 9.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.407 0.622 . . . . 0.0 109.808 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -149.57 132.39 16.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.96 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.348 -0.835 . . . . 0.0 109.876 177.789 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -111.46 131.36 55.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.5 pt -82.16 113.85 22.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -115.03 132.17 56.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.086 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB3' HD23 ' A' ' 12' ' ' LEU . 13.3 p -70.02 135.78 87.31 Favored Pre-proline 0 N--CA 1.456 -0.152 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -74.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.711 2.274 . . . . 0.0 113.619 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.43 -26.82 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.936 -172.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.795 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -105.34 5.86 32.22 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -175.569 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 2.0 t-80 27.89 89.86 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.22 1.808 . . . . 0.0 115.119 170.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.46 175.69 0.23 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.395 0.678 . . . . 0.0 109.198 167.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.94 137.98 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 21' ' ' CYS . 89.0 mt -94.18 156.72 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.525 172.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.46 131.83 53.76 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -83.33 87.44 6.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.78 106.24 15.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.83 -101.38 0.64 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -169.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -132.73 19.28 4.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.805 174.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -108.72 153.93 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.69 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -110.77 101.16 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 27' ' ' ASP . 75.8 t60 -99.06 137.17 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.145 -178.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.503 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 63.8 m -79.33 130.98 35.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.112 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.82 -35.42 78.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -97.42 11.1 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.9 145.58 29.87 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.136 -169.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.84 48.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.386 0.613 . . . . 0.0 109.859 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -129.68 140.11 51.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.415 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.472 ' HB3' ' HA ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -146.39 137.23 24.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.072 0.463 . . . . 0.0 109.982 170.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.89 157.89 20.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.11 -172.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 p -83.44 130.75 35.04 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.38 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD13 ' HB1' ' A' ' 19' ' ' ALA . 66.2 mt -100.1 140.45 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.207 0.527 . . . . 0.0 110.969 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -131.88 115.1 15.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.577 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -69.27 89.1 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -89.46 155.44 19.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.721 ' SG ' HD22 ' A' ' 41' ' ' LEU . 25.7 p -96.6 129.29 33.42 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.4 Cg_exo -65.71 -28.35 52.04 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 123.763 2.975 . . . . 0.0 112.894 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.54 -64.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.352 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.556 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -69.46 -45.51 68.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.57 -179.053 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 53.2 mtp180 57.92 -166.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.441 -173.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 75.39 161.95 0.15 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.289 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 9.3 Cg_endo -53.13 112.24 0.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 121.912 1.741 . . . . 0.0 111.722 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.721 HD22 ' SG ' ' A' ' 34' ' ' CYS . 24.2 mt -71.42 -166.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.852 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -94.43 114.22 26.21 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.26 97.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.227 0.536 . . . . 0.0 110.418 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.06 146.92 31.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.87 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 45' ' ' LYS . 2.5 mptp? -104.71 126.96 52.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.99 13.97 33.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.085 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.43 82.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.337 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.1 -42.59 1.85 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.44 166.09 15.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.03 163.31 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.626 0.25 . . . . 0.0 110.517 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.85 149.47 33.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.105 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.517 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 38.6 m-85 -108.13 112.13 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -144.35 133.7 23.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 110.203 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 79.2 m -76.81 122.63 25.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -107.46 -56.74 2.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -127.45 156.57 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.263 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.34 0.38 57.34 Favored Glycine 0 C--O 1.236 0.258 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.128 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 77.6 m-70 -140.54 -87.56 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.259 0.552 . . . . 0.0 110.442 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.559 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 143.54 120.56 1.49 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 60' ' ' LEU . 4.1 pp -56.68 136.26 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 111.45 -173.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.782 HD13 HG21 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.99 124.42 72.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.307 -176.652 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 m -57.0 153.73 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 70.4 mmtt -64.03 -19.75 65.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -169.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -85.64 -17.95 34.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.094 0.473 . . . . 0.0 110.716 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HB3' HG21 ' A' ' 61' ' ' ILE . 15.5 mmt85 -90.25 -5.34 56.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.129 175.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.782 HG21 HD13 ' A' ' 61' ' ' ILE . 46.1 t -91.3 132.92 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.505 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -107.67 103.75 13.12 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 39.3 m-85 -73.41 98.44 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.147 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.97 176.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.231 0.538 . . . . 0.0 110.944 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.0 mt -102.67 75.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.672 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 t 59.06 -160.96 0.27 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.982 -176.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.48 -39.89 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 171.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -152.63 136.18 16.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.082 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.0 tp -114.76 89.55 3.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.207 0.527 . . . . 0.0 110.296 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -18.68 12.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.767 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 69.18 108.56 0.05 Allowed 'General case' 0 C--O 1.232 0.183 0 O-C-N 124.026 0.829 . . . . 0.0 109.513 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -68.81 162.07 27.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.057 -172.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -62.55 107.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.197 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -157.58 19.5 0.27 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.074 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.6 m170 69.63 -76.95 0.06 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.67 -173.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.945 177.566 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 178.71 149.1 0.22 Allowed 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 12' ' ' LEU . 19.8 pt -97.96 124.58 51.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.453 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 28.0 m -147.28 144.03 28.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -175.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.778 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 17.2 t -63.83 129.49 93.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.33 2.94 2.4 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.035 2.49 . . . . 0.0 113.836 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.91 1.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 109.839 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.778 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 57.7 m -132.37 81.37 1.95 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.86 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.5 88.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.827 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -149.51 -87.42 0.08 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.767 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 175.23 172.87 0.26 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.459 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 4' ' ' THR . 82.7 mt -119.68 129.4 54.53 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -73.11 111.75 8.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -85.56 111.67 20.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.407 0.622 . . . . 0.0 110.408 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.87 7.92 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.094 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.41 -50.35 3.28 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.525 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.59 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 11.7 t70 -94.78 -43.21 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 0.0 110.678 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.404 HG22 ' HB3' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -126.05 164.58 20.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.522 -176.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 28' ' ' PHE . . . -113.58 136.52 52.73 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 56.2 t60 -120.27 139.85 52.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.526 0.203 . . . . 0.0 111.045 -175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 t -100.41 135.03 42.48 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.76 -18.5 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -85.33 -48.22 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 0.0 110.421 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.74 139.87 52.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.57 34.11 0.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.783 -172.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -94.16 128.45 40.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 18' ' ' THR . 28.4 m-20 -100.07 132.4 45.46 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.512 ' HB3' HG22 ' A' ' 70' ' ' ILE . 96.3 m-85 -98.52 116.22 30.28 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -176.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -66.37 119.88 12.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 19' ' ' ALA . 96.5 mt -99.97 124.66 45.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.83 0.348 . . . . 0.0 110.263 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -111.73 120.59 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 110.393 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -78.02 94.81 4.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.949 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD21 ' HG3' ' A' ' 38' ' ' ARG . 14.3 tp -94.18 148.23 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.37 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' SG ' HG12 ' A' ' 61' ' ' ILE . 42.0 t -96.48 116.49 66.16 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' C ' ' H ' ' A' ' 37' ' ' CYS . 31.8 Cg_exo -59.54 140.38 93.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.496 2.797 . . . . 0.0 111.75 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 26.6 t70 75.12 -31.64 0.21 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.752 0.658 . . . . 0.0 110.833 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' H ' ' C ' ' A' ' 35' ' ' PRO . 28.9 t -78.72 -80.39 0.12 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.537 177.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 55.6 ttp180 53.38 22.21 2.71 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.586 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.802 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.1 mt-30 -79.87 176.59 3.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.802 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 19.1 Cg_endo -61.77 83.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 4.8 mp -62.32 126.98 29.22 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.598 ' NE2' ' HA ' ' A' ' 54' ' ' CYS . 1.7 mp0 -64.11 124.7 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -76.28 92.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.91 103.97 3.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.63 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -97.56 123.09 41.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.148 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.65 171.37 8.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.472 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 p -76.89 94.1 3.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.023 0.44 . . . . 0.0 110.63 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.17 -39.95 1.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.611 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 17' ' ' ASP . . . -159.16 168.78 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.675 0.238 . . . . 0.0 110.995 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.47 169.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.674 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -149.7 131.45 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 48.4 m-85 -93.07 116.42 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.066 0.46 . . . . 0.0 110.019 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.731 ' HE2' HD21 ' A' ' 60' ' ' LEU . 12.1 t80 -158.42 113.63 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -173.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.697 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.8 p -80.26 88.65 5.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.402 0.62 . . . . 0.0 110.868 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.546 ' HA ' HD23 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -74.69 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.637 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.68 -57.89 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.697 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -73.61 137.88 24.15 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.535 176.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 66.43 -76.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.399 0.68 . . . . 0.0 111.497 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 155.56 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.824 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.731 HD21 ' HE2' ' A' ' 53' ' ' PHE . 16.9 mt -48.95 155.65 0.59 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.323 -174.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.511 HD12 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -127.75 132.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.391 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -58.68 127.14 30.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 68.5 mttm -62.38 -15.25 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 111.365 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -78.47 -11.17 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 65' ' ' ARG . 21.3 mmt180 -118.21 0.85 11.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 50.7 t -71.19 132.57 33.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -98.09 96.51 8.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.145 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -75.97 107.25 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.022 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.67 147.56 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.309 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 28' ' ' PHE . 60.9 mt -83.52 112.22 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.633 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -100.65 130.99 46.77 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.17 0.509 . . . . 0.0 111.283 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 73' ' ' GLN . 14.2 t70 -109.39 -151.13 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.469 ' H ' ' CG ' ' A' ' 72' ' ' ASP . 28.5 mm-40 61.67 40.89 12.74 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.592 0.234 . . . . 0.0 111.344 174.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 9.9 mp -56.43 148.02 20.19 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 53.0 mm-40 71.86 84.91 0.13 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.983 0.802 . . . . 0.0 110.42 -171.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB3' ' H ' ' A' ' 77' ' ' HIS . 33.8 m80 -86.62 -160.91 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.408 ' H ' ' HB3' ' A' ' 76' ' ' HIS . 72.9 m-70 -81.13 141.52 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.285 -175.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.24 137.41 53.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.115 0.483 . . . . 0.0 111.084 -177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.15 137.06 15.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.425 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.63 -66.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t60 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.155 178.216 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.48 97.17 8.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.054 0.455 . . . . 0.0 110.414 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.468 HD13 HD23 ' A' ' 30' ' ' LEU . 25.9 mt -71.27 -54.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.899 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.4 p 60.68 159.68 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.21 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 37.2 t -101.38 135.61 19.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.914 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.93 -34.89 87.92 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.799 2.333 . . . . 0.0 112.838 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.04 23.54 5.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 95.6 m -148.99 -17.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t60 57.0 -97.95 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -166.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.418 ' CG ' ' H ' ' A' ' 11' ' ' ALA . 9.2 t-80 53.97 -162.29 0.12 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.425 0.453 . . . . 0.0 110.612 172.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.418 ' H ' ' CG ' ' A' ' 10' ' ' HIS . . . -122.1 145.88 47.74 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 168.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . 40.1 mt -102.7 121.91 43.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.837 0.351 . . . . 0.0 110.085 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.94 115.1 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.388 0.613 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -81.72 125.2 30.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.652 -175.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.03 -5.09 51.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.164 0.507 . . . . 0.0 110.173 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.29 -75.99 0.39 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.541 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.94 -38.95 16.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.558 0.694 . . . . 0.0 109.3 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -118.88 152.65 35.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.308 -176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -111.33 127.41 55.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.087 173.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -99.38 119.82 38.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.422 -172.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.49 124.6 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.49 -38.51 40.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -59.91 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 p -103.77 8.9 37.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.524 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.14 77.37 0.22 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.12 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.66 126.41 30.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -178.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.72 108.41 19.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 110.121 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.92 112.81 25.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -74.91 135.4 41.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD23 HD13 ' A' ' 3' ' ' ILE . 6.3 mp -102.08 156.96 17.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.216 0.531 . . . . 0.0 110.821 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -131.75 158.2 41.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.463 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 52' ' ' TYR . . . -96.35 113.59 25.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.569 0.223 . . . . 0.0 110.578 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HG3' ' A' ' 38' ' ' ARG . 10.4 mp -118.09 153.28 34.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.82 146.35 31.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.148 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.65 -27.38 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.378 2.052 . . . . 0.0 111.721 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.546 ' HB2' ' HE1' ' A' ' 58' ' ' HIS . 4.3 m-20 -83.96 -31.06 25.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.484 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB2' ' HG3' ' A' ' 39' ' ' GLN . 26.1 p -146.39 120.23 9.3 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.841 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HG3' HD23 ' A' ' 33' ' ' LEU . 80.0 ttt180 -79.26 84.7 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 172.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.557 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 51.1 mt-30 -129.78 174.28 4.77 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.441 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 59.6 Cg_endo -76.13 14.32 1.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.61 1.54 . . . . 0.0 110.252 164.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.528 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp 59.03 -89.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.786 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.627 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.2 tp60 -159.82 110.52 1.93 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 t -70.01 111.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.31 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.4 mt -104.72 98.07 7.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.371 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HA ' HG13 ' A' ' 50' ' ' VAL . 25.7 mtpp -89.29 92.59 9.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.36 170.91 8.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.033 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 t -85.31 93.7 8.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.87 -26.76 4.45 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.196 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.77 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 45' ' ' LYS . 8.4 m -120.34 113.56 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.221 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.79 150.53 28.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.159 0.504 . . . . 0.0 111.051 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' HB2' ' HB1' ' A' ' 32' ' ' ALA . 85.8 m-85 -108.86 113.89 27.2 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 6.5 t80 -153.46 110.23 3.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.931 -167.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 72.1 m -70.76 88.82 0.73 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -67.26 -69.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.753 0.311 . . . . 0.0 111.448 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -104.41 -29.14 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.946 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 58' ' ' HIS . . . -81.68 35.22 2.49 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.141 -0.552 . . . . 0.0 113.22 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.834 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 3.0 t-160 169.9 -66.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.3 133.15 2.79 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.652 ' H ' HD21 ' A' ' 60' ' ' LEU . 1.7 pt? -61.07 96.86 0.05 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 111.102 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mm -76.62 131.9 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.398 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -57.42 127.37 31.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HD2' ' HZ ' ' A' ' 68' ' ' PHE . 50.0 mtmt -64.2 -15.88 60.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -175.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.38 -31.25 67.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.728 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -107.78 0.29 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.519 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 75.6 t -78.94 141.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.11 92.22 7.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HZ ' ' HD2' ' A' ' 63' ' ' LYS . 94.3 m-85 -80.93 97.32 7.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -130.48 164.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.963 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.09 128.26 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -86.86 91.49 8.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -86.09 113.88 22.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.171 0.51 . . . . 0.0 109.669 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -167.94 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.423 0.63 . . . . 0.0 110.101 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 tp -109.92 118.31 36.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.855 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -129.87 -53.76 1.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.019 0.438 . . . . 0.0 109.984 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.88 149.68 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.608 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -77.54 121.44 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.118 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.54 148.01 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -61.11 -71.88 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 110.509 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -135.84 -84.95 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.362 174.323 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.77 114.01 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.23 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -138.21 154.64 49.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.926 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 37.1 t -65.82 137.08 95.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.803 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 22.6 Cg_exo -66.17 -3.82 9.29 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.973 2.448 . . . . 0.0 112.149 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -110.11 -61.24 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.02 95.19 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.453 0.644 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -70.02 84.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -116.89 -83.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.13 124.74 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.96 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.1 130.59 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.34 134.19 38.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 0.0 110.589 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 16' ' ' GLY . 13.5 tpt180 -99.07 128.14 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.225 -177.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -108.1 -0.03 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.905 0.859 . . . . 0.0 109.488 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 98.6 135.23 8.75 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 6.3 t70 69.05 -60.05 0.46 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.966 0.383 . . . . 0.0 111.04 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 27' ' ' ASP . 59.0 m -120.69 145.05 47.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 0.0 111.279 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.16 133.29 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.5 130.85 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 111.11 -174.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 42.7 t -89.86 117.91 29.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.339 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -51.26 -96.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.893 0.877 . . . . 0.0 112.196 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 44.0 p -62.65 142.86 57.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' THR . 73.0 m 102.4 -30.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.63 1.831 . . . . 0.0 110.059 -173.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.84 31.75 20.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.324 0.583 . . . . 0.0 111.119 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -101.51 143.11 31.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.364 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HB3' HG21 ' A' ' 18' ' ' THR . 12.5 m-20 -111.06 125.04 53.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.539 ' HE2' ' HB2' ' A' ' 21' ' ' CYS . 97.6 m-85 -102.32 105.92 16.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.46 125.59 31.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.614 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.1 mp -104.26 137.46 42.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.024 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -111.14 142.31 43.49 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -85.85 107.93 17.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.545 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD23 ' HG3' ' A' ' 38' ' ' ARG . 9.4 mp -112.63 158.46 19.97 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.934 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.93 151.57 37.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.13 -18.99 26.73 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.533 2.155 . . . . 0.0 112.177 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.06 -43.29 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.139 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.25 97.99 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.35 0.595 . . . . 0.0 110.092 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HG3' HD23 ' A' ' 33' ' ' LEU . 10.3 ttm180 -83.76 82.49 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.356 0.598 . . . . 0.0 110.654 -175.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' LEU . 95.2 mt-30 -144.07 175.32 2.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.856 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.487 ' O ' ' HB3' ' A' ' 52' ' ' TYR . 23.7 Cg_exo -66.71 5.38 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.222 1.948 . . . . 0.0 111.544 168.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 50.8 mt 63.71 -84.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.845 0.858 . . . . 0.0 111.467 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -162.01 128.7 3.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.258 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' HG3' ' A' ' 45' ' ' LYS . 51.0 t -83.38 102.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.199 0.523 . . . . 0.0 111.368 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 53' ' ' PHE . 31.2 mt -94.06 119.46 32.96 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 30.8 mtpp -120.86 137.39 54.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.023 0.44 . . . . 0.0 110.905 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.26 114.48 8.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.4 m 58.6 28.55 17.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.56 -38.76 3.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.305 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -59.69 148.66 33.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.578 0.228 . . . . 0.0 110.645 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.65 139.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.141 0.496 . . . . 0.0 111.504 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -136.88 140.19 42.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.638 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 75.9 m-85 -99.59 109.31 21.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.251 0.548 . . . . 0.0 109.833 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 21.4 t80 -146.04 106.98 4.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.058 -171.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 20.5 p -78.42 91.74 4.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.655 0.264 . . . . 0.0 110.59 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -69.54 -84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.426 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -92.92 -17.89 23.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 0.0 110.285 -175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.83 -4.99 63.46 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.945 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.0 t-80 -165.81 -62.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.0 138.05 2.84 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.5 pt? -73.88 156.8 37.32 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.08 0.518 . . . . 0.0 111.624 -173.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -128.12 151.43 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.474 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.9 t -66.57 133.15 49.73 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 29.0 mtpp -66.44 -7.93 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.171 0.51 . . . . 0.0 110.82 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -78.61 -16.7 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.311 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -121.59 10.29 10.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.212 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.2 t -84.36 139.79 17.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.46 95.31 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.93 100.06 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.981 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 p -105.23 142.41 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.614 HG12 ' HG ' ' A' ' 30' ' ' LEU . 59.5 mt -80.26 97.12 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.307 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 110.965 179.554 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 3' ' ' ILE . 4.1 mp -80.78 102.43 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -77.79 121.75 24.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.265 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.9 t -67.68 125.85 91.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.735 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.92 -24.04 46.48 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.51 -65.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 25.8 p -83.86 -5.81 59.29 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.482 -175.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 53.76 50.72 16.4 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.252 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -139.24 159.88 41.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.809 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.52 124.41 23.51 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.557 0.535 . . . . 0.0 110.249 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 5' ' ' CYS . 82.3 mt -72.35 153.07 41.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.997 0.427 . . . . 0.0 110.593 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.09 105.38 16.09 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.476 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 8.0 ppt_? -84.93 137.01 33.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.356 0.598 . . . . 0.0 111.612 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -97.81 -27.99 14.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.443 -0.798 . . . . 0.0 108.922 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.93 -80.02 0.21 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.851 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -82.87 -14.52 54.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.357 0.598 . . . . 0.0 110.265 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 m -129.9 143.94 51.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.3 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.2 108.22 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -87.13 121.89 30.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.032 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.08 125.8 29.88 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.796 0.808 . . . . 0.0 110.393 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -5.43 40.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.943 -1.48 . . . . 0.0 112.467 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -56.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.89 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 14.1 m -78.63 -2.0 36.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.141 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.22 21.24 10.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.807 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -103.64 145.26 30.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.734 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -109.61 129.47 55.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 83.2 m-85 -108.91 154.16 22.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -87.39 128.28 35.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.649 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 19' ' ' ALA . 42.0 mt -113.54 143.4 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.786 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -135.99 131.75 35.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.633 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.38 98.52 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.5 mt -98.62 152.88 19.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.131 0.491 . . . . 0.0 111.069 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 49.2 t -96.74 133.39 24.54 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -45.98 -41.45 20.76 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.89 3.06 . . . . 0.0 113.039 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.602 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 11.1 p-10 -85.99 -99.15 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.665 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 6.5 p -54.42 108.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.352 0.661 . . . . 0.0 111.625 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -105.03 20.44 18.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.48 . . . . 0.0 110.347 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.699 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.6 mt-30 -128.45 -62.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.13 -173.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 93.8 Cg_endo -81.1 40.66 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.337 2.025 . . . . 0.0 114.162 -168.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 136.42 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.2 137.6 48.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.131 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.71 89.04 2.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.32 96.91 6.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.351 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -91.07 103.43 16.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.843 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.4 -175.3 3.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m -68.83 -34.63 75.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.4 2.88 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.108 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.16 -173.55 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.642 0.258 . . . . 0.0 110.425 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 m -102.99 101.08 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 109.781 174.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -95.39 122.13 37.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 50.2 m-85 -86.35 96.65 10.06 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.0 t80 -144.66 123.14 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.588 -160.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 61.6 m -72.34 88.66 1.19 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -88.68 -21.79 23.73 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.4 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -134.81 169.91 16.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.387 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.94 -68.66 3.03 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.385 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -95.27 -76.19 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.338 . . . . 0.0 110.239 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.71 144.46 3.92 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -61.42 106.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.544 0.687 . . . . 0.0 111.513 -174.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -85.1 131.69 33.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.147 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -54.26 143.49 22.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.679 0.276 . . . . 0.0 110.533 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 66' ' ' VAL . 89.1 mttt -70.58 -5.36 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.211 0.529 . . . . 0.0 110.731 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -90.31 -17.26 27.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.85 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 12.6 mmm180 -106.34 -21.16 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.948 -177.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 63' ' ' LYS . 29.4 m -65.54 140.14 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -92.81 93.4 8.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.986 0.422 . . . . 0.0 111.24 -174.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -74.52 97.17 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.81 163.55 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.9 mt -85.3 80.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.286 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.389 179.484 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 12' ' ' LEU . 57.5 mt -68.97 -58.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m 69.61 125.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.132 -1.394 . . . . 0.0 113.199 168.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 19.7 t -76.29 119.37 77.01 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 173.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -50.48 -46.95 26.76 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.419 2.746 . . . . 0.0 113.458 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -86.8 15.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.437 . . . . 0.0 111.834 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 71.9 m -127.9 -34.89 2.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.62 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m170 63.83 25.44 14.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.409 0.623 . . . . 0.0 109.891 -173.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.48 160.69 31.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.758 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.08 149.4 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 5' ' ' CYS . 22.9 mt -111.35 113.47 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.191 172.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.19 106.31 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.312 0.577 . . . . 0.0 110.792 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 38.5 ttp-105 -76.95 113.53 14.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.931 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.86 16.59 26.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 110.144 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.93 -82.81 1.1 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.069 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -29.45 69.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.536 0.684 . . . . 0.0 110.698 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.09 158.88 43.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.723 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.03 114.47 27.79 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -97.26 120.3 37.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.622 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 24' ' ' CYS . 11.9 t -79.28 144.8 33.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 109.952 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -34.59 17.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.989 0.9 . . . . 0.0 109.467 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 19.5 p -94.97 85.1 4.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.94 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 23' ' ' THR . 12.9 p 98.18 124.43 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.29 1.436 . . . . 0.0 108.745 -167.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.52 40.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.871 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -91.39 124.42 35.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.695 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.73 133.98 43.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.371 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' HB3' HG23 ' A' ' 70' ' ' ILE . 95.0 m-85 -110.1 102.87 11.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -57.19 124.54 19.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.58 176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 14' ' ' ARG . 97.2 mt -101.97 128.69 48.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.119 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 85.8 mt-30 -119.39 127.05 52.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.02 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.84 116.86 23.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.94 162.77 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.126 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 88.0 m -99.01 161.36 25.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.773 0.321 . . . . 0.0 110.598 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.59 -35.64 89.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.556 2.171 . . . . 0.0 111.625 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.84 -27.58 14.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.52 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 25.6 m -100.94 101.61 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.664 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.62 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.705 0.764 . . . . 0.0 108.99 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -88.26 142.93 31.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.601 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.38 120.99 7.02 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.675 2.25 . . . . 0.0 111.602 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 11.6 mt -70.21 -173.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.084 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.49 132.86 42.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 50' ' ' VAL . 89.3 t -76.64 104.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.697 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 53' ' ' PHE . 37.9 mt -105.64 153.65 21.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.427 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -108.81 124.2 50.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.045 0.45 . . . . 0.0 111.581 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.44 95.51 4.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.428 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m 64.62 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.273 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.57 6.1 4.52 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 145.31 26.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.534 0.206 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 43' ' ' VAL . 71.8 t -90.41 112.15 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.0 118.06 35.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.032 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 88.7 m-85 -88.31 114.11 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.26 0.552 . . . . 0.0 109.901 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 31.1 t80 -150.2 97.33 2.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 41' ' ' LEU . 3.1 p -78.56 88.58 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.274 0.559 . . . . 0.0 112.271 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 19.1 mm-40 -69.35 -22.72 63.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.668 174.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.93 126.34 52.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.122 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.25 16.09 63.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.202 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -170.39 -70.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . 135.21 -97.17 0.28 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.096 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 pp -153.46 149.49 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.7 mp -128.94 138.8 53.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.3 t -61.12 125.99 25.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' HG21 ' A' ' 66' ' ' VAL . 25.3 mmtp -65.33 -10.13 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -85.54 -21.01 28.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.161 0.505 . . . . 0.0 110.388 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.16 12.18 20.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG21 ' HD3' ' A' ' 63' ' ' LYS . 98.2 t -77.74 137.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.857 177.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.3 67.5 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 7.8 p90 -84.59 118.69 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.3 m -124.6 174.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.203 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 28' ' ' PHE . 84.3 mt -82.1 111.95 19.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.64 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.721 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 12' ' ' LEU . 22.2 mt -68.19 109.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.163 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 p -131.34 144.07 50.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.584 ' HB2' HD21 ' A' ' 12' ' ' LEU . 36.8 t -79.65 135.35 56.46 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 57.1 Cg_endo -70.7 -5.33 16.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.189 2.593 . . . . 0.0 113.857 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.5 p -115.88 -48.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.294 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.66 94.98 5.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -60.27 87.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.475 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -147.6 156.02 42.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 131.39 44.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 5' ' ' CYS . 28.3 mt -88.78 155.9 19.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.509 . . . . 0.0 111.435 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.46 96.08 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -72.31 135.67 46.01 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.301 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -138.88 90.6 2.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.688 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.0 -114.62 6.96 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.07 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.12 -24.6 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.407 0.622 . . . . 0.0 110.808 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -108.4 151.23 26.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.317 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -112.45 109.23 18.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.59 172.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -83.07 119.91 25.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.593 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' HA ' HD22 ' A' ' 12' ' ' LEU . 21.8 t -78.88 135.6 37.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.99 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -64.4 -89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.747 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.525 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 63.8 p -67.96 146.19 53.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 23' ' ' THR . 19.0 p 54.16 93.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.134 0.896 . . . . 0.0 110.276 -169.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.31 100.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.817 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 mttp -142.86 119.22 10.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.461 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-10 -103.85 126.02 50.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.662 . . . . 0.0 110.048 173.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.542 ' HB3' HG23 ' A' ' 70' ' ' ILE . 46.6 m-85 -106.62 134.98 48.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.567 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -74.27 125.29 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 19' ' ' ALA . 83.3 mt -100.1 120.31 39.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 73.9 mt-30 -111.58 146.61 37.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.914 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -88.3 120.78 29.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.34 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.3 mm? -106.52 140.71 38.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' A' ' 41' ' ' LEU . 28.4 p -101.13 138.74 20.05 Favored Pre-proline 0 N--CA 1.448 -0.552 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.59 -25.31 74.17 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.833 3.022 . . . . 0.0 114.036 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.78 30.58 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.231 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -91.01 -50.03 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.163 -0.336 . . . . 0.0 111.479 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 60.79 21.26 11.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.349 0.595 . . . . 0.0 110.801 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -131.28 157.62 77.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.66 110.57 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.471 2.781 . . . . 0.0 113.811 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD11 ' SG ' ' A' ' 34' ' ' CYS . 10.0 mp -73.12 148.74 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 172.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 96.4 mt-30 -60.27 116.54 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 111.21 -175.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 2.6 p -71.2 109.58 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.591 0.71 . . . . 0.0 110.536 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 55' ' ' GLN . 59.8 mt -121.25 110.66 16.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.31 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -92.6 89.56 6.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.48 85.83 5.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m 66.3 -83.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.654 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.5 7.67 12.31 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.247 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.39 138.9 54.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.98 114.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.467 ' OD2' ' HD2' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -121.77 160.05 25.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.178 -176.402 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.617 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 53.1 m-85 -140.18 97.49 3.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.866 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . 47.7 p90 -155.51 151.36 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.103 0.478 . . . . 0.0 111.57 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 58' ' ' HIS . 9.0 m -72.16 88.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.047 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' HD11 ' A' ' 44' ' ' LEU . 63.3 tt0 -61.03 -45.91 92.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -123.45 149.29 45.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.965 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -25.89 26.67 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.054 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -138.46 -63.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.08 152.93 7.24 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.84 135.69 51.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.203 0.525 . . . . 0.0 110.916 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -103.83 140.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 65' ' ' ARG . 7.1 m -50.06 124.45 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.515 0.509 . . . . 0.0 110.839 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 85.4 tttt -64.26 -25.01 67.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.921 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.97 1.53 52.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.175 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 72.1 ttt180 -116.02 -23.54 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 27.0 m -64.49 156.73 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.703 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -108.65 105.42 15.02 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.776 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 26.0 m-85 -81.27 110.21 16.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 177.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.16 174.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 28' ' ' PHE . 78.0 mt -76.79 114.26 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.882 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -177.553 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.507 -0.182 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -69.06 107.73 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 11' ' ' ALA . 1.5 m -128.54 134.74 48.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.688 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -69.82 132.55 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.127 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 28.2 Cg_exo -61.72 -73.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.109 2.539 . . . . 0.0 113.668 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.26 -28.56 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -96.63 36.99 1.31 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.661 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -42.98 96.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.445 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' HG21 ' A' ' 23' ' ' THR . 16.3 t-80 -178.81 65.1 0.01 OUTLIER 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.687 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . 57.01 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 5' ' ' CYS . 53.0 mt -111.26 164.59 12.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.423 173.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 42.5 tt0 -118.08 110.75 18.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 14' ' ' ARG . 18.9 ptt85 -77.91 128.54 34.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 0.0 111.19 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -84.54 -16.03 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.066 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.49 -73.68 0.4 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.43 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -88.95 -21.89 23.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.509 . . . . 0.0 110.149 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -127.22 165.14 20.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.98 151.73 27.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -142.16 135.1 28.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.864 0.364 . . . . 0.0 111.008 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.687 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 36.3 m -79.33 112.89 17.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.472 . . . . 0.0 109.803 172.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 4.6 pm0 -86.7 -14.02 43.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.157 0.98 . . . . 0.0 109.449 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.573 HG21 ' HB3' ' A' ' 10' ' ' HIS . 11.9 m -93.1 -10.34 36.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.814 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -153.61 -171.57 3.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.85 -167.437 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.63 68.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.55 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 28.5 mtpp -137.96 135.1 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.11 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -120.79 136.03 55.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.545 ' HB3' HG23 ' A' ' 70' ' ' ILE . 61.3 m-85 -116.86 125.36 51.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 111.623 -174.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -76.28 122.26 24.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.673 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.9 mt -100.32 125.43 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.156 0.503 . . . . 0.0 111.096 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -111.62 99.71 8.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.161 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.36 98.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.913 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -105.44 148.16 27.47 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.199 0.523 . . . . 0.0 110.987 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 41' ' ' LEU . 11.0 p -96.75 110.03 51.39 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.069 176.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 51.4 Cg_exo -55.05 -36.27 92.37 Favored 'Trans proline' 0 N--CA 1.473 0.29 0 C-N-CA 123.941 3.094 . . . . 0.0 113.588 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.58 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 27.6 p -84.64 84.45 7.67 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -81.97 89.79 6.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.62 0.724 . . . . 0.0 111.194 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.711 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 66.6 mt-30 -148.08 158.64 41.47 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.36 117.23 1.88 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.681 HD11 ' SG ' ' A' ' 34' ' ' CYS . 8.8 mp -76.35 176.14 8.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.79 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.56 122.77 30.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.7 t -78.43 99.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.633 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -89.01 89.72 8.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.206 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.538 ' HB3' HG12 ' A' ' 50' ' ' VAL . 11.5 pttt -86.09 100.34 12.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 83.61 8.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 m 63.96 24.27 13.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.565 175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.92 -65.47 0.38 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.945 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -81.77 145.81 30.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.547 0.213 . . . . 0.0 110.816 -176.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 45' ' ' LYS . 35.8 m -97.17 148.9 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.087 0.47 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -144.48 130.31 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 54.1 m-85 -93.72 114.51 26.82 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -149.27 129.6 13.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.952 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 59.1 m -71.79 88.67 1.02 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.84 -50.39 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -107.67 -53.21 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.236 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 54' ' ' CYS . . . -91.85 169.25 32.26 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.103 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 39' ' ' GLN . 11.9 m170 71.07 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.28 0.632 . . . . 0.0 111.248 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 148.05 120.22 1.13 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.3 pt? -59.95 103.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 111.122 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.3 mm -83.44 132.93 30.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 m -49.85 136.69 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.4 0.438 . . . . 0.0 110.228 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' HG23 ' A' ' 66' ' ' VAL . 42.0 tttp -64.27 -19.17 65.22 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -171.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.13 -16.1 59.95 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -104.08 -4.38 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -76.64 125.87 36.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.759 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -94.35 100.96 12.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.314 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -72.86 100.2 2.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.647 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.99 126.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.7 mt -73.21 96.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -174.812 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.41 HD13 HD11 ' A' ' 30' ' ' LEU . 47.0 mt -73.6 113.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 63.8 p -116.86 137.67 52.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 40.9 t -66.68 131.97 94.06 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.48 -25.71 75.05 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.245 2.63 . . . . 0.0 113.559 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.1 p -101.21 -1.5 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.334 0.588 . . . . 0.0 110.76 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.733 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 58.5 m -112.12 -39.49 4.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.4 m80 60.15 20.33 9.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.696 0.76 . . . . 0.0 109.7 -170.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 25.4 m80 -107.02 145.72 31.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.368 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.64 131.15 41.35 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.305 0.378 . . . . 0.0 110.075 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 21' ' ' CYS . 30.7 mt -85.13 142.1 29.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.461 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.22 124.38 25.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.663 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' THR . 47.7 ttt180 -104.54 98.5 8.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.374 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.94 -87.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.89 57.63 0.92 Allowed Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 14' ' ' ARG . 2.7 t0 61.47 17.53 8.54 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 122.055 0.931 . . . . 0.0 110.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 6.4 m -108.25 140.54 41.34 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 12' ' ' LEU . . . -111.23 105.76 14.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 111.791 -170.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -83.47 126.2 32.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.701 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.622 ' HA ' HD22 ' A' ' 12' ' ' LEU . 41.8 t -78.98 132.74 36.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.959 0.409 . . . . 0.0 110.769 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -38.36 88.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.041 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -108.99 -33.07 7.02 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -83.39 -9.39 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.509 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 58.23 31.54 20.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.548 0.69 . . . . 0.0 110.666 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -126.05 119.44 27.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.675 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.16 143.18 30.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.283 0.563 . . . . 0.0 110.459 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -105.39 127.91 53.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.678 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -83.38 120.62 26.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD11 HD13 ' A' ' 3' ' ' ILE . 87.7 mt -100.44 147.33 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.955 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -117.08 124.35 49.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.296 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.91 118.05 15.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.371 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 33' ' ' LEU . 13.6 tp -126.99 162.83 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 64.9 m -96.59 125.03 48.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.38 -17.3 27.29 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 121.969 1.78 . . . . 0.0 110.928 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 34' ' ' CYS . 6.0 p-10 -91.59 -16.85 26.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 2.3 p -164.8 91.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.484 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -80.87 76.14 7.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.396 0.617 . . . . 0.0 111.922 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' HD23 ' A' ' 41' ' ' LEU . 81.1 mm-40 -141.99 165.85 25.19 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.2 123.51 10.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.173 1.915 . . . . 0.0 112.235 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 9.9 mt -80.54 -179.62 7.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.286 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.41 116.77 23.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 t -76.77 103.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.206 0.526 . . . . 0.0 110.483 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.2 104.16 16.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -90.79 119.44 31.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.57 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.97 -94.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.882 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.14 -68.66 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.47 30.23 6.31 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.19 161.39 30.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.106 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 143.21 34.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.115 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -131.36 167.63 18.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 93.7 m-85 -123.22 106.87 11.11 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.04 135.81 18.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.407 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.738 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 23.8 m -78.66 107.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.156 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -81.81 -51.38 8.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -148.47 144.85 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.328 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.76 44.21 7.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.876 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.738 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 3.2 t-80 -169.94 -65.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.068 0.434 . . . . 0.0 110.077 175.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.09 100.74 0.39 Allowed Glycine 0 C--O 1.24 0.527 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.63 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.54 150.14 36.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.167 0.508 . . . . 0.0 111.45 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -128.78 162.99 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 m -71.27 114.73 9.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 8.1 ptmm? -74.17 1.01 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -167.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -24.54 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.53 . . . . 0.0 109.94 169.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 73.0 ttt180 -116.45 29.16 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.712 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 32' ' ' ALA . 42.4 t -66.95 143.58 15.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.39 83.09 6.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 84.2 m-85 -76.5 103.64 6.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.224 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.26 153.17 7.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.24 123.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.954 -173.548 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.519 0.2 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -71.56 142.01 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 3.5 p -122.56 136.06 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 111.36 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 52.0 t -64.72 139.63 97.82 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 49.9 Cg_exo -56.79 -30.98 86.92 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.229 2.619 . . . . 0.0 113.269 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.28 -54.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 0.0 110.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.47 84.5 1.98 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.317 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' HA ' ' HB ' ' A' ' 4' ' ' THR . 43.8 m80 -70.36 77.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 172.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -123.83 -71.42 0.72 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.255 -175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.92 141.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.503 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 HG22 ' A' ' 3' ' ' ILE . 49.7 mt -112.0 146.19 38.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 177.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 17.7 mt-10 -87.64 87.78 7.48 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.746 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -84.72 104.98 15.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.008 0.432 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.69 24.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.97 -97.01 0.59 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -105.01 14.01 30.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.512 0.672 . . . . 0.0 110.406 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 m -141.43 133.73 28.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.977 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.79 125.37 52.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.654 0.264 . . . . 0.0 111.017 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' HD2' ' OE2' ' A' ' 13' ' ' GLU . 59.5 t60 -102.06 140.59 36.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.47 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 23' ' ' THR . 2.4 t -114.42 113.07 24.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.1 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.25 -44.1 72.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.617 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 38.7 p -66.26 118.45 9.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 23' ' ' THR . 25.4 p 51.54 93.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.486 0.66 . . . . 0.0 110.59 -171.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 93.99 0.01 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.193 -176.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -141.82 130.47 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.396 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.88 128.22 55.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -107.02 128.3 54.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.78 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -78.95 122.97 26.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 88.0 mt -100.73 139.42 36.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.42 -175.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -111.43 124.67 52.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.78 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -68.85 112.94 5.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 69' ' ' VAL . 1.9 tp -123.18 155.48 36.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 6.1 m -97.51 141.83 23.62 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 175.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.36 -25.68 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.446 2.097 . . . . 0.0 110.213 168.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 2.9 p-10 -79.15 -84.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.806 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 5.9 p -85.63 99.72 11.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.411 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -83.64 70.93 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.757 0.789 . . . . 0.0 110.258 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.474 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 88.8 mt-30 -143.95 175.01 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.301 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 33.8 Cg_exo -61.66 3.37 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.75 2.3 . . . . 0.0 114.017 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' SG ' ' A' ' 54' ' ' CYS . 52.1 mt 63.16 -89.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.137 0.575 . . . . 0.0 111.284 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -164.31 119.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.46 118.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 53' ' ' PHE . 97.9 mt -122.42 139.21 54.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.679 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 42.0 mtpt -96.6 148.91 22.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 47' ' ' CYS . . . 73.75 -154.46 0.06 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 124.127 0.892 . . . . 0.0 109.061 -170.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 37.8 t 69.74 -59.98 0.49 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 -173.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.3 -48.5 0.18 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.19 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -121.43 98.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -104.58 159.03 16.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.773 -166.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.52 96.8 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 45.7 t80 -148.79 105.69 3.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.773 -165.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 41' ' ' LEU . 9.7 p -89.42 88.54 7.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.976 -174.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -65.01 -43.57 92.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.975 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -110.58 173.19 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.545 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.12 -62.78 4.58 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -105.66 -75.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.9 135.93 2.27 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.071 -175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -62.81 133.42 54.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 66' ' ' VAL . 1.6 mp -113.04 133.22 59.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 66' ' ' VAL . 17.7 m -59.27 137.28 58.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.7 mttt -69.15 2.78 2.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 112.183 -174.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 4.6 tmtm? -86.13 -20.78 28.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 172.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -112.33 -14.18 13.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.142 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 61' ' ' ILE . 91.8 t -65.56 139.58 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -84.23 100.24 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.959 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.528 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 96.5 m-85 -84.85 107.22 16.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.368 . . . . 0.0 110.734 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 33' ' ' LEU . 13.6 p -102.1 143.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.15 136.14 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.085 0.469 . . . . 0.0 110.399 177.104 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -74.62 89.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.581 0.705 . . . . 0.0 111.112 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.6 m -123.73 126.25 46.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.833 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.53 ' HB2' HD21 ' A' ' 12' ' ' LEU . 40.9 t -75.35 120.63 82.54 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.83 1.39 7.09 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.882 2.388 . . . . 0.0 112.924 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 t -94.28 -31.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.64 -8.32 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.311 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 t60 61.15 32.83 19.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.409 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.24 143.72 44.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 140.08 52.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.009 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 5' ' ' CYS . 72.1 mt -98.53 163.4 12.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.122 0.487 . . . . 0.0 111.798 -172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -95.58 130.03 42.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.731 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.8 110.01 22.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -121.61 87.38 2.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 0.0 109.866 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.22 -118.4 14.33 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.784 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.61 -10.08 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -125.98 135.39 51.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.26 0.552 . . . . 0.0 112.229 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.48 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -111.01 112.32 24.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.425 ' HD2' ' OE2' ' A' ' 22' ' ' GLU . 71.4 t60 -91.08 129.86 37.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.522 ' HA ' HD22 ' A' ' 12' ' ' LEU . 32.8 t -96.41 110.83 23.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 62.1 mm-40 -65.13 -74.81 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.201 0.313 . . . . 0.0 110.469 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -63.67 130.25 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 14.5 p 48.7 92.45 0.02 OUTLIER 'General case' 0 C--O 1.249 1.064 0 C-N-CA 123.304 0.642 . . . . 0.0 109.938 -166.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -60.96 116.89 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 mtpp -151.45 123.6 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.396 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.79 112.15 24.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 0.0 110.149 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 26' ' ' LYS . 92.8 m-85 -99.35 121.34 40.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.664 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.68 17.89 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 25.7 mt -106.08 142.95 34.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.058 0.456 . . . . 0.0 111.544 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -137.6 133.5 34.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.489 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.15 120.76 18.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.683 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.4 159.33 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.244 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.62 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -96.72 115.56 65.73 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 -175.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.569 ' HG3' ' HB2' ' A' ' 67' ' ' ASN . 7.8 Cg_exo -72.64 60.15 3.45 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.789 2.326 . . . . 0.0 109.592 171.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.509 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t0 -168.39 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.561 -163.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -27.58 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' H ' ' HB3' ' A' ' 34' ' ' CYS . 54.3 ttt180 58.99 24.95 13.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.851 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.75 166.27 46.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 170.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.0 -0.2 3.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.35 2.033 . . . . 0.0 111.865 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 34' ' ' CYS . 77.3 mt 64.68 -174.79 0.17 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.11 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.34 121.24 44.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.598 HG22 ' CE2' ' A' ' 52' ' ' TYR . 17.5 t -73.55 118.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.332 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 mt -111.5 97.82 7.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.406 0.622 . . . . 0.0 110.144 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.01 105.67 15.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.116 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -98.66 177.75 5.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.5 m -71.83 101.97 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.034 0.445 . . . . 0.0 110.303 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.41 77.34 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.491 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -150.81 151.62 32.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.62 106.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.623 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -110.17 157.12 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 27.8 m-85 -130.38 103.95 6.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.03 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HA ' HD13 ' A' ' 41' ' ' LEU . 29.3 p90 -160.91 149.31 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.3 0.571 . . . . 0.0 111.264 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.42 100.52 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.442 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.01 172.72 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.955 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.48 -57.22 5.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.11 -73.12 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.0 162.64 10.06 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.597 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.25 136.73 15.05 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.389 0.676 . . . . 0.0 112.395 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.1 mp -112.17 140.36 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 171.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -53.86 116.15 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 16.6 ptpt -64.73 -9.21 18.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -167.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 7.8 mtpm? -77.63 -31.81 52.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.886 0.374 . . . . 0.0 110.544 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -105.46 2.07 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 88.8 t -68.45 134.27 30.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.569 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 54.1 t30 -83.91 95.77 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.693 -173.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -71.91 107.29 4.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.568 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.12 159.33 2.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.21 113.32 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.21 0.529 . . . . 0.0 110.036 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 t . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.973 -179.677 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 11' ' ' ALA . 2.4 tm-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 12' ' ' LEU . 36.6 mt -62.89 -54.64 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 110.456 -175.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 m 67.57 128.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.645 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.0 t -74.95 112.79 19.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.14 -23.26 73.03 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.217 2.611 . . . . 0.0 113.514 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.68 7.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 111.685 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -131.63 -27.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.9 16.81 10.63 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.497 0.665 . . . . 0.0 109.963 -177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -95.81 158.96 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.266 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . . . -79.63 123.27 27.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.964 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.528 HD12 ' HB ' ' A' ' 3' ' ' ILE . 35.0 mt -68.77 118.45 11.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 111.176 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.28 95.64 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.151 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.556 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 17.5 ptt180 -99.94 149.04 23.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.451 0.643 . . . . 0.0 111.166 -174.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -88.4 -9.95 50.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.888 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.05 -59.58 0.67 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.54 -46.69 8.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.17 -0.515 . . . . 0.0 110.974 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 29' ' ' SER . 1.1 p -108.42 156.16 19.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . . . -123.46 134.61 53.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -177.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -112.65 124.52 52.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.717 0.294 . . . . 0.0 110.679 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.1 t -92.92 115.32 28.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -30.24 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.534 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.08 58.49 2.17 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.379 0.609 . . . . 0.0 110.307 176.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 m -177.0 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.009 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.43 22.06 11.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.777 0.798 . . . . 0.0 109.49 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -110.15 126.87 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.836 -176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -99.67 130.43 45.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.642 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -98.44 128.29 44.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.183 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' THR . 15.9 t -99.65 113.22 25.53 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.367 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.0 mp -102.92 164.71 11.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.402 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -111.57 142.13 44.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -82.54 95.81 7.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.062 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . 12.1 tp -97.14 157.44 15.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HB3' HG13 ' A' ' 61' ' ' ILE . 2.2 p -98.9 108.99 52.07 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.78 0.324 . . . . 0.0 110.14 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.61 -33.86 54.05 Favored 'Trans proline' 0 N--CA 1.474 0.376 0 C-N-CA 123.479 2.786 . . . . 0.0 114.07 -171.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.64 -50.86 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.218 0.532 . . . . 0.0 111.015 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 26.0 p -116.87 82.2 1.76 Allowed 'General case' 0 C--O 1.25 1.079 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.811 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -77.22 88.27 3.66 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.756 0.66 . . . . 0.0 112.238 -168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.709 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 74.0 mt-30 -153.8 157.76 32.58 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -44.35 124.19 4.98 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.118 2.545 . . . . 0.0 113.103 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 33' ' ' LEU . 5.2 mp -80.74 -178.49 6.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.367 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 62.3 tt0 -90.86 127.38 36.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.54 103.02 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.141 0.496 . . . . 0.0 110.714 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.3 mt -94.17 97.2 10.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.484 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.05 132.15 35.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.961 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.46 -169.36 1.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.44 88.24 3.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.089 0.471 . . . . 0.0 110.308 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -39.99 2.57 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.176 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.73 131.73 34.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 111.072 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.3 107.23 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.344 0.592 . . . . 0.0 110.067 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.89 131.9 38.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 95.4 m-85 -89.94 104.42 16.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 28.7 t80 -148.98 105.52 3.54 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.4 p -78.73 94.65 5.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.194 0.521 . . . . 0.0 110.62 -177.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -95.91 -57.88 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.07 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -79.46 7.35 8.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.257 0.551 . . . . 0.0 111.164 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -159.05 159.4 30.32 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 10.5 m170 68.76 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 117.295 0.547 . . . . 0.0 110.763 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.6 131.76 2.26 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -52.25 129.91 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.29 0.567 . . . . 0.0 111.203 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 34' ' ' CYS . 39.7 mm -101.6 132.11 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.778 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -55.88 133.96 51.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -75.26 8.34 2.78 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.791 0.664 . . . . 0.0 112.791 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -97.88 -56.96 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 171.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -84.4 67.12 9.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.856 0.836 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 44.4 t -106.57 140.78 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.779 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 3.7 t-20 -83.46 80.27 9.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -72.67 102.25 3.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.1 p -125.2 142.38 42.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.773 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.449 HG12 ' HG ' ' A' ' 30' ' ' LEU . 35.9 mt -82.13 85.01 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 171.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.273 -173.501 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 121.446 0.641 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.55 99.17 8.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 166.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.547 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 3.0 m -119.13 125.7 49.87 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.545 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.2 t -67.93 122.68 84.78 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -39.91 74.4 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.52 2.813 . . . . 0.0 113.721 -173.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.82 -11.16 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.027 0.442 . . . . 0.0 111.334 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 10' ' ' HIS . 76.1 m -103.94 -52.01 3.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 41.5 t60 54.11 43.2 31.05 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.864 0.84 . . . . 0.0 109.119 -167.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 16.3 m80 -130.97 25.07 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.061 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.26 -173.97 0.14 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.21 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 5' ' ' CYS . 85.6 mt -144.81 163.49 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.57 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.21 127.35 51.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -79.23 113.05 17.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.906 0.384 . . . . 0.0 110.017 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.85 -15.17 57.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.205 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.04 -77.52 0.23 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.237 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.57 -14.25 16.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 29' ' ' SER . 34.3 p -123.6 167.5 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.902 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.84 123.15 49.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -97.41 122.65 40.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.965 0.412 . . . . 0.0 110.824 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 4.9 t -92.62 113.86 26.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.438 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -76.55 -57.21 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -66.09 114.46 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 2.9 p 59.14 97.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.7 0.762 . . . . 0.0 109.192 -164.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -70.83 100.73 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.076 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -151.53 149.76 29.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.148 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.95 148.99 33.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.124 0.488 . . . . 0.0 110.659 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 70' ' ' ILE . 79.7 m-85 -120.28 128.89 53.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 18' ' ' THR . 50.7 m -73.63 125.41 27.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 85.6 mt -100.11 135.04 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.206 0.527 . . . . 0.0 111.161 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -118.6 120.98 39.09 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.311 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -66.31 115.66 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.9 tp -125.23 155.28 40.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 61' ' ' ILE . 5.0 t -105.36 130.62 22.78 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.62 -39.11 67.15 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 C-N-CA 123.203 2.602 . . . . 0.0 113.595 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.24 -14.28 58.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.527 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.29 91.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.284 0.564 . . . . 0.0 110.736 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -85.15 76.23 10.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.687 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mt-30 -147.89 176.24 2.32 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.623 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.687 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 11.4 Cg_endo -56.38 107.5 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.77 1.647 . . . . 0.0 110.893 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 52' ' ' TYR . 77.3 mt -72.96 -171.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.747 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG2' ' HA ' ' A' ' 54' ' ' CYS . 49.6 mm-40 -80.52 102.3 9.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.63 101.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.21 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.34 117.05 33.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.32 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -85.34 126.04 33.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 0.0 111.309 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.37 -169.25 2.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.699 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p -52.68 -55.47 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.432 . . . . 0.0 111.154 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 38.27 1.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.749 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 166.6 30.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.3 t -120.66 115.22 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.64 117.92 33.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.424 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.641 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 97.3 m-85 -89.46 96.78 10.85 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 10.2 t80 -144.99 116.25 7.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 59.9 m -67.65 90.04 0.26 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.8 -37.73 29.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.857 0.361 . . . . 0.0 110.765 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -124.27 -26.41 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.74 24.54 12.16 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.545 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 0.5 OUTLIER 172.41 -60.93 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.8 147.59 6.12 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.4 pt? -54.29 135.94 43.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 110.837 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.58 HG12 ' SG ' ' A' ' 34' ' ' CYS . 3.2 mp -102.77 155.82 5.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.395 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 129.36 41.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HA ' HG23 ' A' ' 66' ' ' VAL . 87.5 mttt -68.57 -17.54 64.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -171.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -85.57 -2.72 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.995 0.426 . . . . 0.0 110.614 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -110.86 8.69 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' LYS . 21.9 t -80.03 103.78 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -74.49 93.85 2.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.083 0.468 . . . . 0.0 111.136 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.75 107.81 5.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.87 169.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.143 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.466 HG23 ' HB3' ' A' ' 28' ' ' PHE . 72.2 mt -101.49 112.28 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.232 178.674 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -77.06 125.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 11' ' ' ALA . 1.5 t -155.7 141.87 18.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -60.74 125.57 83.21 Favored Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.88 -60.27 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.975 2.45 . . . . 0.0 113.211 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.94 -23.45 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 0.0 111.438 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -116.13 56.65 0.77 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.511 0.672 . . . . 0.0 109.914 177.368 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.23 128.24 34.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.765 -172.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.746 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 27.2 t-80 -178.94 -60.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' THR . . . -175.35 -174.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.749 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 5' ' ' CYS . 13.1 mt -144.31 143.8 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.288 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -107.12 104.28 13.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.035 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.08 114.22 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.292 0.568 . . . . 0.0 110.389 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.31 -1.76 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.91 -55.06 0.74 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.491 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -85.43 -35.22 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.173 0.511 . . . . 0.0 110.548 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -139.76 165.55 26.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.229 0.538 . . . . 0.0 111.516 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.62 110.92 21.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -93.61 133.93 36.43 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.748 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.686 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 10.7 m -79.35 150.69 31.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.793 0.806 . . . . 0.0 110.749 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.746 ' OE2' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -78.58 -72.42 0.38 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.837 -166.788 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -105.32 1.95 28.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.81 0.814 . . . . 0.0 110.003 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -112.05 138.11 49.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.461 174.141 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.79 75.86 6.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.44 . . . . 0.0 111.039 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 26.1 mtpp -138.48 141.27 39.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -133.4 120.85 21.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 60.3 m-85 -98.8 139.39 34.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.818 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -78.7 125.02 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.07 132.12 45.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.772 0.32 . . . . 0.0 110.245 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -111.96 128.05 56.05 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -65.58 98.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.762 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 151.42 20.81 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.735 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.559 ' SG ' ' HG ' ' A' ' 41' ' ' LEU . 1.9 p -96.2 109.03 45.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' HG21 ' A' ' 61' ' ' ILE . 23.6 Cg_endo -60.97 -49.51 8.1 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 123.368 2.712 . . . . 0.0 113.691 -172.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.45 -57.49 11.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 110.383 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 26.4 p -105.49 85.18 2.2 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 46.4 ttp180 -74.28 91.21 2.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.87 0.843 . . . . 0.0 111.412 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -171.95 165.48 4.07 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 113.951 -1.477 . . . . 0.0 107.8 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.43 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 82.6 Cg_exo -42.12 149.24 0.31 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 123.619 2.879 . . . . 0.0 113.962 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' HG ' ' SG ' ' A' ' 34' ' ' CYS . 5.2 mp -112.39 -171.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.358 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 6.5 tp60 -84.75 129.13 34.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.8 t -79.27 103.92 6.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 65.7 mt -95.29 130.64 41.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.869 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.9 125.96 47.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.04 170.06 8.78 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.4 p -56.96 -45.22 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.0 111.648 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.48 30.23 3.48 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.521 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -158.09 156.11 30.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.975 0.416 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.39 106.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.43 139.29 34.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.035 0.445 . . . . 0.0 111.461 -172.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 55.8 m-85 -96.25 108.22 20.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 7.0 t80 -151.16 105.84 3.27 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 2.1 p -80.02 88.27 5.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.832 -174.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -78.44 -68.67 0.62 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.412 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -89.61 111.49 22.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.585 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.38 -51.6 0.8 Allowed Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.644 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.6 m170 -116.45 -58.12 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.603 -0.351 . . . . 0.0 110.31 -177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.22 -98.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.254 175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.86 107.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 ' HD2' ' A' ' 35' ' ' PRO . 20.4 mm -88.67 125.45 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.043 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t -51.37 132.72 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.238 0.336 . . . . 0.0 110.163 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 66' ' ' VAL . 65.9 pttt -64.0 -13.81 49.33 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.736 -173.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -86.43 -15.03 41.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 0.0 110.208 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -111.0 -6.77 14.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 -176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 32' ' ' ALA . 59.2 t -61.44 119.33 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -92.63 99.7 12.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.42 103.1 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.21 147.91 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.895 0.379 . . . . 0.0 111.505 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.92 127.76 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.819 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.782 -178.211 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 12' ' ' LEU . 1.1 pp -77.91 127.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -115.27 155.62 26.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.581 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HB2' HD21 ' A' ' 12' ' ' LEU . 42.5 t -75.95 111.73 16.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.68 -25.73 76.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.871 2.381 . . . . 0.0 112.856 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.494 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.4 p -93.4 -7.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.292 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -124.29 -17.11 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 64.25 12.72 7.38 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.767 0.794 . . . . 0.0 110.283 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -100.4 150.71 22.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.012 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.57 135.47 43.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.7 mt -84.72 117.7 23.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.344 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.89 119.55 15.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.056 -0.657 . . . . 0.0 109.533 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 14.3 ttp85 -83.65 111.94 19.58 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.774 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.73 0.776 . . . . 0.0 109.233 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 137.26 -77.64 0.34 Allowed Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.882 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.14 -14.19 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.446 0.641 . . . . 0.0 110.181 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 27' ' ' ASP . 24.8 m -138.16 146.25 42.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -110.87 140.58 45.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -127.83 129.16 46.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 44.3 t -97.48 125.72 42.32 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.752 174.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 5.0 mm-40 -77.59 -28.38 51.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 111.259 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -85.77 18.05 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.568 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HE2' ' A' ' 26' ' ' LYS . 12.7 m -146.6 -37.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.872 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.35 17.8 5.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.306 0.642 . . . . 0.0 110.176 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 46.7 mtmt -91.49 144.31 25.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.956 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HB3' HG21 ' A' ' 18' ' ' THR . 32.0 m-20 -114.55 130.0 56.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.84 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -112.09 136.43 51.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -80.85 136.45 36.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 19' ' ' ALA . 98.6 mt -111.5 132.61 54.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.905 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -112.28 136.74 51.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.175 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.99 114.35 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 38' ' ' ARG . 3.0 mp -111.59 147.36 35.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.623 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' A' ' 61' ' ' ILE . 57.7 m -96.68 150.93 37.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.955 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.9 Cg_exo -65.81 -26.93 52.06 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.604 2.203 . . . . 0.0 112.074 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.6 -29.74 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.37 101.78 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.15 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -89.41 48.41 1.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.766 0.793 . . . . 0.0 110.549 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.465 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -103.87 176.98 1.55 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.049 172.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.465 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 34.7 Cg_exo -64.57 9.94 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.483 2.122 . . . . 0.0 113.438 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' SG ' ' A' ' 54' ' ' CYS . 51.8 mt 54.04 -102.97 0.16 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.368 0.667 . . . . 0.0 111.258 177.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 52.6 tt0 -147.61 107.14 3.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.97 121.79 22.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.74 0.781 . . . . 0.0 111.751 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 mt -114.56 145.35 42.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.683 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -134.52 133.5 40.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 0.0 110.846 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 115.62 17.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.822 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.2 m 62.65 -87.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.746 0.654 . . . . 0.0 110.722 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.58 4.11 5.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.03 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.26 145.99 29.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 m -121.17 143.26 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.37 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.52 132.0 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 89.4 m-85 -97.2 102.93 14.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 9.4 t80 -140.99 119.15 12.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.961 -167.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 41' ' ' LEU . 87.4 m -66.96 130.05 41.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 110.257 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -114.22 -77.33 0.57 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.09 113.71 26.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.18 -43.63 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.779 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.0 t-160 -122.71 -67.2 0.97 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.231 0.539 . . . . 0.0 109.719 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.97 177.13 14.72 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.2 pp -72.68 139.0 47.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.408 0.623 . . . . 0.0 111.12 -175.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG13 ' SG ' ' A' ' 34' ' ' CYS . 30.9 mm -115.96 132.22 66.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.427 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -55.17 113.5 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -75.12 8.32 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -98.92 4.8 47.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -122.03 -0.42 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.977 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.86 155.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.184 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -98.76 100.04 11.2 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.88 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -77.62 108.75 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.12 150.29 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.054 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.94 107.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.319 -0.73 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 -176.267 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.0 mp -79.75 110.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -101.68 136.71 41.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.344 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' HD21 ' A' ' 12' ' ' LEU . 47.8 t -64.67 128.67 93.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.261 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.76 -23.29 35.89 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.366 2.044 . . . . 0.0 112.073 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.66 -60.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.12 -16.48 49.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.766 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 55.62 45.21 25.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.046 0.927 . . . . 0.0 109.738 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -132.27 146.12 51.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.888 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 135.9 56.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 111.484 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 5' ' ' CYS . 62.7 mt -82.77 154.95 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 109.54 20.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -89.9 111.25 22.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.087 0.47 . . . . 0.0 110.556 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -94.81 -10.38 31.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.472 0.654 . . . . 0.0 109.697 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 103.0 116.43 4.2 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 25.4 t70 73.19 -35.48 0.32 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.115 0.566 . . . . 0.0 111.236 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 16' ' ' GLY . 4.4 m -117.12 133.55 55.86 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.828 0.347 . . . . 0.0 110.567 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.88 115.99 30.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.027 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -110.61 125.71 53.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.015 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.87 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 52.3 t -79.57 129.73 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.855 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.9 -27.68 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -107.94 16.77 23.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.959 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 95.6 m -137.48 173.11 12.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.225 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.86 24.32 12.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.557 0.694 . . . . 0.0 109.163 173.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -101.06 142.98 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.067 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -118.25 121.26 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.301 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -104.15 133.92 48.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.5 m -81.0 121.76 26.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.494 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.0 mt -100.5 113.22 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.0 110.595 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.97 139.22 47.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.617 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -91.52 112.99 25.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 -177.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -110.94 162.84 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 41' ' ' LEU . 24.9 p -123.81 156.14 65.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.685 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.23 146.7 9.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.62 2.88 . . . . 0.0 112.346 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.59 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.409 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.4 p -82.41 78.1 9.1 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.452 0.644 . . . . 0.0 110.859 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' CYS . 86.0 mtt-85 -79.56 6.15 11.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.408 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.929 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 37.2 mt-30 -112.25 -57.44 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.929 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -61.77 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 121.964 1.776 . . . . 0.0 112.178 170.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.688 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 2.6 mp -148.52 152.71 37.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.546 167.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.1 mt-30 -91.38 113.44 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.6 t -78.66 88.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.34 0.591 . . . . 0.0 109.869 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.059 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -90.34 95.96 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.13 158.86 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.151 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -67.64 109.75 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.89 61.5 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.692 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.28 99.15 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.098 0.475 . . . . 0.0 111.341 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.03 116.43 46.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.46 126.43 38.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.919 0.39 . . . . 0.0 111.865 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 58.2 m-85 -86.9 101.13 13.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 165.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 30.9 t80 -146.12 118.84 8.61 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.719 -167.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 90.3 m -77.21 131.02 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.267 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -119.81 -39.19 2.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -109.01 150.62 27.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.705 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.19 -81.19 1.76 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.274 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -79.73 -69.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.379 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.84 168.01 11.42 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 pp -73.85 134.75 43.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.28 0.562 . . . . 0.0 110.865 -177.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.46 126.75 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.251 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -55.05 131.26 44.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.6 ttmt -60.51 -24.03 65.0 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -71.63 -11.04 60.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.207 0.527 . . . . 0.0 110.584 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 3.9 mmp_? -119.4 0.59 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.328 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' CG1' ' HB1' ' A' ' 32' ' ' ALA . 67.9 t -78.58 131.2 34.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -85.86 91.78 8.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.735 0.303 . . . . 0.0 111.382 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.6 97.14 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.22 166.67 19.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.993 0.425 . . . . 0.0 111.248 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 29' ' ' SER . 53.0 mt -77.63 104.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.797 -175.101 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.218 0.533 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 12' ' ' LEU . 11.6 pt -71.36 128.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.581 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -124.74 144.99 49.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 12' ' ' LEU . 45.6 t -78.75 131.62 67.03 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.19 23.43 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.136 2.557 . . . . 0.0 112.868 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.0 t -135.14 -57.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.0 115.31 30.05 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.436 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -69.0 81.36 0.31 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.556 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -145.56 157.35 44.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.438 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HB2' HG13 ' A' ' 3' ' ' ILE . 39.5 mt -91.5 167.01 12.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.13 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.68 150.85 40.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.18 132.32 36.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.315 -176.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -116.9 33.93 5.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.137 0.494 . . . . 0.0 110.131 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 -100.63 2.69 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.136 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.19 3.36 53.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 111.085 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -147.35 154.52 41.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.337 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.0 145.08 39.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -105.43 135.05 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.123 0.487 . . . . 0.0 111.143 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HA ' HD22 ' A' ' 12' ' ' LEU . 9.0 t -108.23 123.43 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.671 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.74 -77.69 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.284 . . . . 0.0 110.238 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.37 130.62 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 23' ' ' THR . 16.6 p 50.86 91.15 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.584 0.707 . . . . 0.0 109.84 -164.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 117.74 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.467 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -151.42 156.16 40.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.055 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -130.38 114.76 15.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.109 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 70' ' ' ILE . 75.4 m-85 -98.49 134.87 40.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.746 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -72.18 124.6 25.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 68' ' ' PHE . 4.8 mp -101.43 145.79 28.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.493 0.663 . . . . 0.0 111.623 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 52.3 tt0 -124.76 128.79 49.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.27 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -81.15 123.12 28.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 0.0 111.217 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HG3' ' A' ' 38' ' ' ARG . 12.2 tp -131.71 154.08 49.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 p -115.66 126.26 27.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.897 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.48 -12.07 33.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.718 2.945 . . . . 0.0 112.586 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.61 -32.09 69.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.588 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 28.4 p -143.2 -38.56 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.225 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HG3' HD21 ' A' ' 33' ' ' LEU . 51.5 ttp180 66.64 14.96 9.98 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.243 1.021 . . . . 0.0 109.05 -173.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 1.1 mp0 -86.57 107.73 14.99 Favored Pre-proline 0 C--O 1.254 1.325 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.961 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -20.1 103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.254 1 C-N-CA 125.895 4.397 . . . . 0.0 113.17 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.917 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 8.2 mp -51.67 -86.14 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 -168.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.625 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.8 tp60 168.97 107.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 2.6 p -73.43 110.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.771 0.796 . . . . 0.0 110.128 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 23.0 mt -105.67 115.71 30.71 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.336 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -107.89 142.63 37.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.929 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.86 -91.07 0.55 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -147.02 94.63 2.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 -44.42 2.85 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.365 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.64 31.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 110.722 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.36 119.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.722 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.5 m-20 -110.15 158.21 18.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.925 0.393 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 43.1 m-85 -132.37 110.23 10.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 2.2 t80 -153.3 118.67 5.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -172.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.917 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 76.8 m -67.48 88.53 0.21 Allowed 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -77.14 -32.4 56.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -129.21 168.62 15.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.625 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.99 -63.67 3.81 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.152 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 6.7 t60 -93.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.75 152.3 6.73 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -55.69 119.2 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.1 mp -81.11 150.16 4.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.594 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -55.6 117.89 4.02 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 172.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -55.75 -32.38 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.265 -171.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -91.67 10.85 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -116.37 -1.2 12.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -72.71 120.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.621 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.13 98.77 8.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HB3' HD23 ' A' ' 30' ' ' LEU . 90.2 m-85 -78.24 97.35 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 172.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -102.46 161.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.828 -176.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 28' ' ' PHE . 74.6 mt -69.65 116.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.187 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 11.8 t . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.292 0.567 . . . . 0.0 110.034 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.513 ' HG2' HG23 ' A' ' 4' ' ' THR . 53.3 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.45 HG22 HD12 ' A' ' 12' ' ' LEU . 55.8 mt 67.19 -74.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.647 0.592 . . . . 0.0 111.244 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 11' ' ' ALA . 41.2 p 63.08 137.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.914 1.286 . . . . 0.0 113.329 177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.617 ' SG ' HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -87.81 142.49 32.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.689 176.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.21 -35.49 91.16 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.236 2.624 . . . . 0.0 112.143 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 27.5 m -112.48 160.69 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.7 p 41.4 49.47 3.46 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 123.394 0.434 . . . . 0.0 109.938 -174.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 20.2 t-80 -48.58 -95.29 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.875 1.359 . . . . 0.0 113.805 -172.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 41.32 -88.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.19 0.996 . . . . 0.0 112.265 -167.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -155.87 167.56 30.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD21 ' SG ' ' A' ' 5' ' ' CYS . 34.7 mt -128.17 146.33 50.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.66 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -108.36 144.07 36.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.202 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -82.81 100.99 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.901 0.381 . . . . 0.0 110.362 175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 66.7 t30 -88.5 55.59 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.27 -106.63 1.98 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.774 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.79 -15.3 48.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -108.38 161.78 14.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.273 -173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.93 110.72 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 15' ' ' ASN . 84.5 t60 -96.84 136.86 36.8 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.374 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.742 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 11.0 m -78.85 131.07 36.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.99 0.424 . . . . 0.0 110.193 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.68 -58.51 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.657 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -98.57 18.02 17.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.262 1.03 . . . . 0.0 109.138 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.742 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -142.18 140.25 32.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.102 -173.048 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.94 78.99 9.79 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.7 tppt? -151.34 149.37 29.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.579 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.08 127.51 34.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.4 m-85 -108.07 148.43 29.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.916 0.388 . . . . 0.0 111.319 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -88.37 135.0 33.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 19' ' ' ALA . 86.0 mt -105.9 131.3 53.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -111.66 109.6 19.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.661 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HD2' ' A' ' 52' ' ' TYR . . . -81.07 97.53 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 38' ' ' ARG . 13.1 tp -106.37 162.79 13.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.097 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 41' ' ' LEU . 2.6 p -96.24 115.29 65.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.257 0.551 . . . . 0.0 109.574 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 67' ' ' ASN . 82.4 Cg_endo -78.16 10.97 2.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.441 2.761 . . . . 0.0 113.767 -171.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -123.47 -61.99 1.35 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.055 0.455 . . . . 0.0 109.841 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -94.53 49.28 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.092 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HG3' HD21 ' A' ' 33' ' ' LEU . 10.7 ttp180 -51.97 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.852 0.834 . . . . 0.0 112.779 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.603 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 52.6 mt-30 -150.19 158.16 36.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.27 117.0 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.354 2.036 . . . . 0.0 112.351 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 39' ' ' GLN . 6.9 mp -78.4 -177.73 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -97.01 138.4 34.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 110.146 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.01 94.24 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.827 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.6 mt -85.62 107.35 17.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 110.429 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.51 98.98 10.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.556 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 96.51 9.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.689 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m 62.79 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.73 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.93 5.27 5.07 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.99 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.53 125.23 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -100.15 118.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.305 -177.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.8 123.11 48.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.735 172.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HD2' ' O ' ' A' ' 32' ' ' ALA . 2.2 t80 -86.25 101.35 12.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HB3' HD12 ' A' ' 44' ' ' LEU . 27.9 t80 -140.8 141.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.745 -167.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 25.8 m -70.09 124.61 24.51 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 174.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -156.55 146.84 21.36 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.282 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 50.36 54.23 11.51 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.061 0.851 . . . . 0.0 111.707 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.25 -58.71 0.62 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.298 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.603 ' HE1' ' O ' ' A' ' 39' ' ' GLN . 2.6 t60 -66.57 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.498 ' N ' ' HB3' ' A' ' 54' ' ' CYS . . . 154.25 -108.92 0.39 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.461 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' HB2' ' A' ' 54' ' ' CYS . 4.0 pp 174.63 150.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.801 0.841 . . . . 0.0 108.741 173.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -128.64 147.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.351 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 t -62.66 130.46 45.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HA ' HG23 ' A' ' 66' ' ' VAL . 33.2 mtpt -72.36 8.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 0.0 110.989 -174.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -93.75 -17.88 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.628 174.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 65' ' ' ARG . 5.4 mtm180 -123.55 22.92 9.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.429 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.2 t -73.52 133.92 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' HB3' ' A' ' 35' ' ' PRO . 55.2 t30 -88.09 96.79 10.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.37 . . . . 0.0 110.246 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.57 108.31 15.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.12 130.69 43.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.8 mt -80.93 115.45 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.064 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -177.809 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 N--CA 1.468 0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.59 125.37 58.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 2.7 p -134.86 161.08 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -67.47 118.0 52.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.021 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 -26.2 41.18 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.406 2.071 . . . . 0.0 112.587 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.45 -36.35 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.961 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -97.38 -12.25 22.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.376 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 5.9 m170 60.5 -178.65 0.1 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.35 -171.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 56.5 m80 74.03 163.9 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.827 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 4' ' ' THR . . . -79.93 167.73 20.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.352 0.596 . . . . 0.0 112.31 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -116.17 157.29 25.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.259 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -105.82 131.55 53.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -81.53 100.88 9.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -71.15 -29.5 65.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.212 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.17 -75.2 0.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.4 -9.43 29.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.587 0.708 . . . . 0.0 109.794 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.58 155.72 48.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.354 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -111.07 124.69 52.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.11 132.43 45.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.122 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.761 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 62.3 m -79.29 138.43 37.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.494 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -77.14 -60.1 2.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.168 0.509 . . . . 0.0 111.228 176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 p -85.27 13.84 5.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.176 -170.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.761 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -161.0 145.35 13.66 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -170.165 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.53 74.01 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.406 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -143.28 127.14 17.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.077 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.57 125.58 53.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.0 m-85 -100.96 131.57 46.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.878 -176.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -76.52 124.97 28.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 19' ' ' ALA . 89.5 mt -100.29 143.49 30.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -133.83 123.67 25.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -75.56 103.87 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 38' ' ' ARG . 12.4 tp -112.3 156.37 22.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.367 -174.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' ' HD2' ' A' ' 35' ' ' PRO . 14.3 t -98.47 142.32 24.4 Favored Pre-proline 0 N--CA 1.45 -0.434 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 60.0 Cg_exo -53.46 -32.41 62.71 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.124 2.55 . . . . 0.0 113.997 -177.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.08 -33.55 9.21 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.789 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.799 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 3.7 p -121.57 134.35 55.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.531 0.681 . . . . 0.0 110.953 -175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HA ' HD11 ' A' ' 33' ' ' LEU . 63.7 mtt85 -115.0 18.35 16.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.534 -172.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 72.6 mt-30 -145.47 -55.41 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.467 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.799 ' HD2' ' HB2' ' A' ' 37' ' ' CYS . 12.1 Cg_exo -72.46 24.87 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.942 2.428 . . . . 0.0 114.808 -171.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.98 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 7.1 mp -84.07 132.53 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.882 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.8 mm-40 -84.08 142.08 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.45 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.6 97.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.125 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 28.5 mt -88.34 117.83 27.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' HG2' HG12 ' A' ' 50' ' ' VAL . 81.0 mttt -99.82 118.27 35.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.153 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.71 83.31 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t 66.88 -75.42 0.06 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.811 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.66 -17.75 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.444 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.18 146.65 25.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.536 HG12 ' HG2' ' A' ' 45' ' ' LYS . 17.3 m -114.55 137.56 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.892 0.377 . . . . 0.0 111.087 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -133.53 123.18 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.164 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.8 m-85 -86.55 116.92 25.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.615 0.721 . . . . 0.0 110.333 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.1 t80 -149.12 99.58 2.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.607 -170.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.98 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 5.6 p -78.68 88.31 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.664 -171.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -77.25 -34.15 55.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.0 109.568 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.32 123.81 50.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.459 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.49 2.92 40.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 28.4 t-80 -172.3 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.162 0.506 . . . . 0.0 109.9 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.9 161.38 10.28 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 pp -57.72 131.3 49.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.343 0.592 . . . . 0.0 111.634 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 54' ' ' CYS . 1.5 mp -103.75 157.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.61 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -73.38 119.73 18.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 168.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -73.65 8.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.479 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -93.7 -8.05 41.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.38 -16.54 11.43 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.69 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 63' ' ' LYS . 28.5 m -60.07 144.07 13.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.038 0.447 . . . . 0.0 110.928 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -99.23 101.66 13.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.82 102.53 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.58 148.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 28' ' ' PHE . 70.9 mt -84.59 121.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.027 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.145 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 CA--C 1.523 -0.074 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 12' ' ' LEU . 29.5 mm 67.31 90.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.278 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -124.77 134.62 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.726 -173.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 41.9 t -76.54 140.03 67.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.457 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 14.2 Cg_endo -56.81 -22.61 46.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.434 2.756 . . . . 0.0 113.344 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.83 2.97 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.074 0.464 . . . . 0.0 110.571 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 60.3 m -138.28 68.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.656 0.741 . . . . 0.0 109.764 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -76.63 100.19 5.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.777 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -167.41 -52.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.989 168.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.13 156.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.213 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 5' ' ' CYS . 41.9 mt -115.89 175.41 5.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -94.5 114.27 26.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' THR . 35.5 ttp180 -78.58 93.53 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.636 0.731 . . . . 0.0 109.607 176.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -107.94 105.05 14.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.729 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 37.49 75.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.607 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 64.8 13.4 8.44 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.604 0.716 . . . . 0.0 110.647 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 m -111.14 168.05 9.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -110.74 102.57 11.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.199 0.523 . . . . 0.0 111.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -97.07 123.62 40.86 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 52.5 t -78.85 125.75 29.79 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.921 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -59.6 -47.02 87.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.269 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -89.59 -37.05 14.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.84 -17.84 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.112 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.74 17.59 9.95 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.497 0.498 . . . . 0.0 111.456 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -94.03 148.63 21.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.49 113.13 26.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 69.9 m-85 -102.68 121.47 42.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.501 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.9 t -82.67 147.65 28.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.166 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 mm? -99.68 112.53 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.8 134.91 53.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.906 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.78 101.22 8.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.0 mm? -98.91 143.72 28.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.147 0.499 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.54 118.7 56.94 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.03 -42.93 37.62 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 114.069 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.43 -20.43 60.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.645 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 p -147.53 91.06 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 111.114 -173.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -78.5 82.37 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.72 0.771 . . . . 0.0 109.787 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -151.86 175.03 3.12 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.937 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 95.44 0.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.336 1.357 . . . . 0.0 110.648 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp -43.95 -53.39 6.22 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.809 0.693 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 15.8 tp60 169.98 110.5 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.7 t -78.52 95.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.473 0.654 . . . . 0.0 111.445 -169.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 25.0 mt -95.22 116.62 28.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.953 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -105.05 135.59 46.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.497 -172.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.89 -154.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.809 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.95 -58.71 3.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.797 0.332 . . . . 0.0 110.613 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.87 43.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.447 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.28 135.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.85 129.29 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.78 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -118.89 142.61 47.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.985 -174.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 51.9 m-85 -111.2 103.58 12.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.264 0.554 . . . . 0.0 109.544 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 66.1 t80 -132.86 121.89 23.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.772 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.886 ' HB3' ' H ' ' A' ' 59' ' ' GLY . 43.1 m -67.17 116.12 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -173.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.49 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.759 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -102.78 -27.73 12.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.835 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -11.02 84.29 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.68 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 9.4 t-160 -174.88 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.387 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.886 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 158.03 157.93 8.71 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -57.03 138.63 54.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 111.876 -174.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mm -120.91 139.18 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -52.68 115.0 1.58 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG23 ' A' ' 66' ' ' VAL . 58.4 tttt -64.76 -22.98 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -167.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -75.26 -17.36 60.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.901 0.382 . . . . 0.0 110.445 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -106.94 -0.12 23.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.399 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.4 t -78.53 139.83 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.672 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -78.99 87.08 4.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.357 . . . . 0.0 111.613 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HZ ' ' HE3' ' A' ' 63' ' ' LYS . 48.1 m-85 -77.0 97.36 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -118.96 158.18 20.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.96 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.4 pt -81.01 70.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.92 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 p . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.647 -174.89 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.614 0.245 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.5 pt -82.16 113.85 22.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -115.03 132.17 56.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.086 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.655 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.3 p -70.02 135.78 87.31 Favored Pre-proline 0 N--CA 1.456 -0.152 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -74.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.711 2.274 . . . . 0.0 113.619 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.43 -26.82 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.936 -172.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.811 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -105.34 5.86 32.22 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -175.569 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 2.0 t-80 27.89 89.86 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.22 1.808 . . . . 0.0 115.119 170.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.46 175.69 0.23 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.395 0.678 . . . . 0.0 109.198 167.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.94 137.98 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 5' ' ' CYS . 89.0 mt -94.18 156.72 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.525 172.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.46 131.83 53.76 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -83.33 87.44 6.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.78 106.24 15.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.83 -101.38 0.64 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -169.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -132.73 19.28 4.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.805 174.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -108.72 153.93 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.69 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.77 101.16 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 27' ' ' ASP . 75.8 t60 -99.06 137.17 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.145 -178.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.597 ' HA ' HD23 ' A' ' 12' ' ' LEU . 63.8 m -79.33 130.98 35.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.112 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.82 -35.42 78.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -97.42 11.1 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.9 145.58 29.87 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.136 -169.358 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.84 48.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.386 0.613 . . . . 0.0 109.859 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -129.68 140.11 51.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.415 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -146.39 137.23 24.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.072 0.463 . . . . 0.0 109.982 170.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.89 157.89 20.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.11 -172.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 p -83.44 130.75 35.04 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.38 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 19' ' ' ALA . 66.2 mt -100.1 140.45 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.207 0.527 . . . . 0.0 110.969 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -131.88 115.1 15.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.577 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.27 89.1 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -89.46 155.44 19.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 41' ' ' LEU . 25.7 p -96.6 129.29 33.42 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.4 Cg_exo -65.71 -28.35 52.04 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 123.763 2.975 . . . . 0.0 112.894 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.54 -64.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.352 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -69.46 -45.51 68.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.57 -179.053 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 53.2 mtp180 57.92 -166.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.441 -173.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.509 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mm-40 75.39 161.95 0.15 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.289 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 9.3 Cg_endo -53.13 112.24 0.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 121.912 1.741 . . . . 0.0 111.722 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 34' ' ' CYS . 24.2 mt -71.42 -166.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.852 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -94.43 114.22 26.21 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.26 97.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.227 0.536 . . . . 0.0 110.418 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.06 146.92 31.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.87 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -104.71 126.96 52.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.99 13.97 33.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.085 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.43 82.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.337 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.1 -42.59 1.85 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.44 166.09 15.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.03 163.31 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.626 0.25 . . . . 0.0 110.517 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.85 149.47 33.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.105 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 38.6 m-85 -108.13 112.13 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -144.35 133.7 23.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 110.203 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.743 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 79.2 m -76.81 122.63 25.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -107.46 -56.74 2.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -127.45 156.57 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.263 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.34 0.38 57.34 Favored Glycine 0 C--O 1.236 0.258 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.128 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.743 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 77.6 m-70 -140.54 -87.56 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.259 0.552 . . . . 0.0 110.442 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 143.54 120.56 1.49 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.1 pp -56.68 136.26 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 111.45 -173.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.789 HD13 HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.99 124.42 72.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.307 -176.652 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 m -57.0 153.73 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 70.4 mmtt -64.03 -19.75 65.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -169.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -85.64 -17.95 34.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.094 0.473 . . . . 0.0 110.716 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 61' ' ' ILE . 15.5 mmt85 -90.25 -5.34 56.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.129 175.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.789 HG22 HD13 ' A' ' 61' ' ' ILE . 46.1 t -91.3 132.92 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.505 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -107.67 103.75 13.12 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 39.3 m-85 -73.41 98.44 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.147 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.97 176.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.231 0.538 . . . . 0.0 110.944 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.0 mt -102.67 75.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.672 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 CA--C 1.538 0.495 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.982 -176.82 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 12' ' ' LEU . 19.8 pt -97.96 124.58 51.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.475 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 28.0 m -147.28 144.03 28.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -175.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 17.2 t -63.83 129.49 93.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.33 2.94 2.4 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.035 2.49 . . . . 0.0 113.836 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.91 1.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 109.839 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.783 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 57.7 m -132.37 81.37 1.95 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.86 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.5 88.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.827 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -149.51 -87.42 0.08 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.767 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 175.23 172.87 0.26 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.459 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HG ' ' HA ' ' A' ' 4' ' ' THR . 82.7 mt -119.68 129.4 54.53 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -73.11 111.75 8.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -85.56 111.67 20.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.407 0.622 . . . . 0.0 110.408 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.87 7.92 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.094 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.41 -50.35 3.28 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.525 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.55 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 11.7 t70 -94.78 -43.21 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 0.0 110.678 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.415 HG21 ' HB3' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -126.05 164.58 20.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.522 -176.749 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -113.58 136.52 52.73 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 56.2 t60 -120.27 139.85 52.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.526 0.203 . . . . 0.0 111.045 -175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 t -100.41 135.03 42.48 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.76 -18.5 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -85.33 -48.22 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 0.0 110.421 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.74 139.87 52.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.57 34.11 0.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.783 -172.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -94.16 128.45 40.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 18' ' ' THR . 28.4 m-20 -100.07 132.4 45.46 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HB3' HG23 ' A' ' 70' ' ' ILE . 96.3 m-85 -98.52 116.22 30.28 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -176.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -66.37 119.88 12.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 19' ' ' ALA . 96.5 mt -99.97 124.66 45.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.83 0.348 . . . . 0.0 110.263 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -111.73 120.59 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 110.393 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -78.02 94.81 4.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.949 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 38' ' ' ARG . 14.3 tp -94.18 148.23 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.37 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 61' ' ' ILE . 42.0 t -96.48 116.49 66.16 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 37' ' ' CYS . 31.8 Cg_exo -59.54 140.38 93.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.496 2.797 . . . . 0.0 111.75 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 26.6 t70 75.12 -31.64 0.21 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.752 0.658 . . . . 0.0 110.833 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' H ' ' C ' ' A' ' 35' ' ' PRO . 28.9 t -78.72 -80.39 0.12 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.537 177.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 55.6 ttp180 53.38 22.21 2.71 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.586 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.808 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.4 mt-30 -79.87 176.59 3.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 19.1 Cg_endo -61.77 83.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 4.8 mp -62.32 126.98 29.22 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.467 ' OE1' ' HA ' ' A' ' 54' ' ' CYS . 25.4 mp0 -64.11 124.7 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -76.28 92.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.91 103.97 3.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.63 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -97.56 123.09 41.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.148 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.65 171.37 8.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.472 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 p -76.89 94.1 3.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.023 0.44 . . . . 0.0 110.63 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.17 -39.95 1.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.611 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 17' ' ' ASP . . . -159.16 168.78 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.675 0.238 . . . . 0.0 110.995 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.47 169.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.674 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -149.7 131.45 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 48.4 m-85 -93.07 116.42 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.066 0.46 . . . . 0.0 110.019 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' HE2' HD22 ' A' ' 60' ' ' LEU . 12.1 t80 -158.42 113.63 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -173.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.8 p -80.26 88.65 5.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.402 0.62 . . . . 0.0 110.868 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.562 ' HA ' HD23 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -74.69 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.637 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.68 -57.89 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -73.61 137.88 24.15 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.535 176.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 37' ' ' CYS . 47.2 t60 66.43 -76.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.399 0.68 . . . . 0.0 111.497 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 155.56 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.824 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 ' HE2' ' A' ' 53' ' ' PHE . 16.9 mt -48.95 155.65 0.59 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.323 -174.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -127.75 132.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.391 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -58.68 127.14 30.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 68.5 mttm -62.38 -15.25 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 111.365 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -78.47 -11.17 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 21.3 mmt180 -118.21 0.85 11.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 32' ' ' ALA . 50.7 t -71.19 132.57 33.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -98.09 96.51 8.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.145 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -75.97 107.25 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.022 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.67 147.56 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.309 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' A' ' 28' ' ' PHE . 60.9 mt -83.52 112.22 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.633 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.17 0.509 . . . . 0.0 111.283 -177.368 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.054 0.455 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 30' ' ' LEU . 25.9 mt -71.27 -54.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.899 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.4 p 60.68 159.68 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.21 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 37.2 t -101.38 135.61 19.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.914 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.93 -34.89 87.92 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.799 2.333 . . . . 0.0 112.838 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.04 23.54 5.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 95.6 m -148.99 -17.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t60 57.0 -97.95 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -166.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 53.97 -162.29 0.12 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.425 0.453 . . . . 0.0 110.612 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.1 145.88 47.74 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 168.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.514 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 40.1 mt -102.7 121.91 43.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.837 0.351 . . . . 0.0 110.085 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.94 115.1 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.388 0.613 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 74.7 ttt180 -81.72 125.2 30.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.652 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.03 -5.09 51.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.164 0.507 . . . . 0.0 110.173 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 136.29 -75.99 0.39 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.541 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.94 -38.95 16.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.558 0.694 . . . . 0.0 109.3 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -118.88 152.65 35.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.308 -176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -111.33 127.41 55.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.087 173.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -99.38 119.82 38.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.422 -172.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.49 124.6 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.49 -38.51 40.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -59.91 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 p -103.77 8.9 37.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.524 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.14 77.37 0.22 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.12 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.66 126.41 30.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -178.635 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.72 108.41 19.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 110.121 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.92 112.81 25.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -74.91 135.4 41.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 3' ' ' ILE . 6.3 mp -102.08 156.96 17.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.216 0.531 . . . . 0.0 110.821 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 2.7 tp60 -131.75 158.2 41.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -96.35 113.59 25.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.569 0.223 . . . . 0.0 110.578 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD23 ' HG3' ' A' ' 38' ' ' ARG . 10.4 mp -118.09 153.28 34.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.82 146.35 31.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.148 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.65 -27.38 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.378 2.052 . . . . 0.0 111.721 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.555 ' HB2' ' HE1' ' A' ' 58' ' ' HIS . 4.3 m-20 -83.96 -31.06 25.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.484 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 120.23 9.3 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.841 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG3' HD23 ' A' ' 33' ' ' LEU . 80.0 ttt180 -79.26 84.7 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 172.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 51.1 mt-30 -129.78 174.28 4.77 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.441 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 59.6 Cg_endo -76.13 14.32 1.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.61 1.54 . . . . 0.0 110.252 164.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp 59.03 -89.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.786 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.64 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.2 tp60 -159.82 110.52 1.93 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 t -70.01 111.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.31 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 53' ' ' PHE . 52.4 mt -104.72 98.07 7.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.371 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HA ' HG12 ' A' ' 50' ' ' VAL . 25.7 mtpp -89.29 92.59 9.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.36 170.91 8.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.033 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 t -85.31 93.7 8.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.87 -26.76 4.45 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.196 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.77 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 45' ' ' LYS . 8.4 m -120.34 113.56 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.221 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.79 150.53 28.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.159 0.504 . . . . 0.0 111.051 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 85.8 m-85 -108.86 113.89 27.2 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 6.5 t80 -153.46 110.23 3.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.931 -167.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 72.1 m -70.76 88.82 0.73 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -67.26 -69.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.753 0.311 . . . . 0.0 111.448 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -104.41 -29.14 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.946 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 58' ' ' HIS . . . -81.68 35.22 2.49 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.141 -0.552 . . . . 0.0 113.22 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 3.0 t-160 169.9 -66.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.3 133.15 2.79 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -61.07 96.86 0.05 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 111.102 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mm -76.62 131.9 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.398 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -57.42 127.37 31.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HD2' ' HZ ' ' A' ' 68' ' ' PHE . 50.0 mtmt -64.2 -15.88 60.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -175.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.38 -31.25 67.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.728 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -107.78 0.29 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 75.6 t -78.94 141.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.11 92.22 7.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HZ ' ' HD2' ' A' ' 63' ' ' LYS . 94.3 m-85 -80.93 97.32 7.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -130.48 164.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.963 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.09 128.26 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -176.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 60.22 -173.8 0.12 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 0.0 111.928 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.77 114.01 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.23 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -138.21 154.64 49.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.926 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 37.1 t -65.82 137.08 95.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.803 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 22.6 Cg_exo -66.17 -3.82 9.29 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.973 2.448 . . . . 0.0 112.149 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -110.11 -61.24 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.02 95.19 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.453 0.644 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -70.02 84.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -116.89 -83.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.13 124.74 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.96 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.1 130.59 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.34 134.19 38.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 0.0 110.589 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 16' ' ' GLY . 13.5 tpt180 -99.07 128.14 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.225 -177.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -108.1 -0.03 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.905 0.859 . . . . 0.0 109.488 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 98.6 135.23 8.75 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 6.3 t70 69.05 -60.05 0.46 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.966 0.383 . . . . 0.0 111.04 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 27' ' ' ASP . 59.0 m -120.69 145.05 47.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 0.0 111.279 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.16 133.29 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.5 130.85 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 111.11 -174.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 42.7 t -89.86 117.91 29.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.339 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -51.26 -96.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.893 0.877 . . . . 0.0 112.196 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 44.0 p -62.65 142.86 57.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' THR . 73.0 m 102.4 -30.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.63 1.831 . . . . 0.0 110.059 -173.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.84 31.75 20.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.324 0.583 . . . . 0.0 111.119 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -101.51 143.11 31.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.364 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HB3' HG21 ' A' ' 18' ' ' THR . 12.5 m-20 -111.06 125.04 53.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.539 ' HE2' ' HB2' ' A' ' 21' ' ' CYS . 97.6 m-85 -102.32 105.92 16.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.46 125.59 31.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.614 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.1 mp -104.26 137.46 42.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.024 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -111.14 142.31 43.49 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -85.85 107.93 17.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.545 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD23 ' HG3' ' A' ' 38' ' ' ARG . 9.4 mp -112.63 158.46 19.97 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.934 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.93 151.57 37.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.13 -18.99 26.73 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.533 2.155 . . . . 0.0 112.177 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.06 -43.29 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.139 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.25 97.99 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.35 0.595 . . . . 0.0 110.092 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HG3' HD23 ' A' ' 33' ' ' LEU . 10.3 ttm180 -83.76 82.49 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.356 0.598 . . . . 0.0 110.654 -175.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' LEU . 95.2 mt-30 -144.07 175.32 2.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.856 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.487 ' O ' ' HB3' ' A' ' 52' ' ' TYR . 23.7 Cg_exo -66.71 5.38 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.222 1.948 . . . . 0.0 111.544 168.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 50.8 mt 63.71 -84.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.845 0.858 . . . . 0.0 111.467 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -162.01 128.7 3.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' HG3' ' A' ' 45' ' ' LYS . 51.0 t -83.38 102.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.199 0.523 . . . . 0.0 111.368 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 53' ' ' PHE . 31.2 mt -94.06 119.46 32.96 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 30.8 mtpp -120.86 137.39 54.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.023 0.44 . . . . 0.0 110.905 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.26 114.48 8.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.4 m 58.6 28.55 17.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.56 -38.76 3.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.305 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -59.69 148.66 33.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.578 0.228 . . . . 0.0 110.645 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.65 139.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.141 0.496 . . . . 0.0 111.504 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -136.88 140.19 42.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.638 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 75.9 m-85 -99.59 109.31 21.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.251 0.548 . . . . 0.0 109.833 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 21.4 t80 -146.04 106.98 4.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.058 -171.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 20.5 p -78.42 91.74 4.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.655 0.264 . . . . 0.0 110.59 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -69.54 -84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.426 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -92.92 -17.89 23.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 0.0 110.285 -175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.83 -4.99 63.46 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.945 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.0 t-80 -165.81 -62.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.0 138.05 2.84 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.5 pt? -73.88 156.8 37.32 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.08 0.518 . . . . 0.0 111.624 -173.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -128.12 151.43 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.9 t -66.57 133.15 49.73 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 29.0 mtpp -66.44 -7.93 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.171 0.51 . . . . 0.0 110.82 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -78.61 -16.7 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.311 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -121.59 10.29 10.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.212 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.2 t -84.36 139.79 17.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.46 95.31 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.93 100.06 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.981 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 p -105.23 142.41 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.614 HG12 ' HG ' ' A' ' 30' ' ' LEU . 59.5 mt -80.26 97.12 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.307 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -117.22 89.55 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 110.965 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.62 7.45 24.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.681 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 73' ' ' GLN . 1.9 pp0? -78.91 158.91 27.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.478 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.12 107.01 6.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.029 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -3.89 24.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.596 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -69.63 -81.06 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 40.7 t-80 -113.16 78.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.89 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 4.4 t60 173.3 -45.31 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -71.51 83.55 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -98.45 152.64 19.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.255 0.55 . . . . 0.0 111.732 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.184 -176.652 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.576 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.45 150.16 23.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.496 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 3' ' ' ILE . 4.1 mp -80.78 102.43 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -77.79 121.75 24.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.265 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.9 t -67.68 125.85 91.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.735 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.92 -24.04 46.48 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.51 -65.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 25.8 p -83.86 -5.81 59.29 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.482 -175.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 53.76 50.72 16.4 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.252 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -139.24 159.88 41.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.809 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.52 124.41 23.51 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.557 0.535 . . . . 0.0 110.249 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 5' ' ' CYS . 82.3 mt -72.35 153.07 41.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.997 0.427 . . . . 0.0 110.593 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.09 105.38 16.09 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.476 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' HD2' ' O ' ' A' ' 14' ' ' ARG . 8.0 ppt_? -84.93 137.01 33.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.356 0.598 . . . . 0.0 111.612 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -97.81 -27.99 14.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.443 -0.798 . . . . 0.0 108.922 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.93 -80.02 0.21 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.851 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -82.87 -14.52 54.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.357 0.598 . . . . 0.0 110.265 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 m -129.9 143.94 51.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.3 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.2 108.22 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -87.13 121.89 30.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.032 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.08 125.8 29.88 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.796 0.808 . . . . 0.0 110.393 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -5.43 40.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.943 -1.48 . . . . 0.0 112.467 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -56.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.89 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 14.1 m -78.63 -2.0 36.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.141 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.22 21.24 10.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.807 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -103.64 145.26 30.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.734 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -109.61 129.47 55.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 83.2 m-85 -108.91 154.16 22.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.659 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . 18.6 m -87.39 128.28 35.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.649 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 19' ' ' ALA . 42.0 mt -113.54 143.4 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.786 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -135.99 131.75 35.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.633 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.38 98.52 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.5 mt -98.62 152.88 19.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.131 0.491 . . . . 0.0 111.069 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 49.2 t -96.74 133.39 24.54 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -45.98 -41.45 20.76 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.89 3.06 . . . . 0.0 113.039 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.602 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 11.1 p-10 -85.99 -99.15 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.665 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 6.5 p -54.42 108.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.352 0.661 . . . . 0.0 111.625 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -105.03 20.44 18.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.48 . . . . 0.0 110.347 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.699 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 95.6 mt-30 -128.45 -62.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.13 -173.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 93.8 Cg_endo -81.1 40.66 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.337 2.025 . . . . 0.0 114.162 -168.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 136.42 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.2 137.6 48.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.131 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.71 89.04 2.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.32 96.91 6.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.351 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -91.07 103.43 16.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.843 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.4 -175.3 3.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m -68.83 -34.63 75.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.4 2.88 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.108 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.16 -173.55 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.642 0.258 . . . . 0.0 110.425 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 m -102.99 101.08 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 109.781 174.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -95.39 122.13 37.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 50.2 m-85 -86.35 96.65 10.06 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.0 t80 -144.66 123.14 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.588 -160.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 61.6 m -72.34 88.66 1.19 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -88.68 -21.79 23.73 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.4 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -134.81 169.91 16.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.387 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.94 -68.66 3.03 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.385 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -95.27 -76.19 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.338 . . . . 0.0 110.239 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.71 144.46 3.92 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -61.42 106.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.544 0.687 . . . . 0.0 111.513 -174.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -85.1 131.69 33.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.147 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -54.26 143.49 22.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.679 0.276 . . . . 0.0 110.533 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 66' ' ' VAL . 89.1 mttt -70.58 -5.36 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.211 0.529 . . . . 0.0 110.731 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -90.31 -17.26 27.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.85 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 12.6 mmm180 -106.34 -21.16 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.948 -177.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 63' ' ' LYS . 29.4 m -65.54 140.14 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -92.81 93.4 8.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.986 0.422 . . . . 0.0 111.24 -174.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -74.52 97.17 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.81 163.55 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.9 mt -85.3 80.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.286 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -87.38 -20.65 26.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.389 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.659 ' HB3' ' HB2' ' A' ' 29' ' ' SER . 18.3 t70 -93.33 101.96 14.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.684 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -142.17 171.21 14.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.403 ' N ' HD12 ' A' ' 74' ' ' LEU . 5.7 mp -113.05 109.61 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.019 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.463 ' OE2' ' HA ' ' A' ' 78' ' ' HIS . 3.8 mm-40 -104.11 170.35 7.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.095 0.474 . . . . 0.0 111.501 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 178.33 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.8 t60 175.77 37.6 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' HA ' ' OE2' ' A' ' 75' ' ' GLU . 4.7 t-160 62.25 -98.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.118 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -179.95 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -167.71 126.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.721 178.189 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.701 ' HG3' ' HG3' ' A' ' 2' ' ' GLU . 15.2 tpt . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.868 0.366 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.701 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 41.2 mt-10 -141.65 -160.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 12' ' ' LEU . 57.5 mt -68.97 -58.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m 69.61 125.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.132 -1.394 . . . . 0.0 113.199 168.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 19.7 t -76.29 119.37 77.01 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 173.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -50.48 -46.95 26.76 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.419 2.746 . . . . 0.0 113.458 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -86.8 15.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.437 . . . . 0.0 111.834 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 71.9 m -127.9 -34.89 2.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.62 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m170 63.83 25.44 14.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.409 0.623 . . . . 0.0 109.891 -173.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.48 160.69 31.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.758 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.08 149.4 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 5' ' ' CYS . 22.9 mt -111.35 113.47 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.191 172.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.19 106.31 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.312 0.577 . . . . 0.0 110.792 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 38.5 ttp-105 -76.95 113.53 14.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.931 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -102.86 16.59 26.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 110.144 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.93 -82.81 1.1 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.069 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -29.45 69.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.536 0.684 . . . . 0.0 110.698 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.09 158.88 43.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.723 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.03 114.47 27.79 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -97.26 120.3 37.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.622 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 24' ' ' CYS . 11.9 t -79.28 144.8 33.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 109.952 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -34.59 17.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.989 0.9 . . . . 0.0 109.467 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 19.5 p -94.97 85.1 4.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.94 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 23' ' ' THR . 12.9 p 98.18 124.43 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.29 1.436 . . . . 0.0 108.745 -167.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.52 40.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.871 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -91.39 124.42 35.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.695 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.73 133.98 43.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.371 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' HB3' HG23 ' A' ' 70' ' ' ILE . 95.0 m-85 -110.1 102.87 11.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.726 ' HB2' ' HA ' ' A' ' 72' ' ' ASP . 44.4 m -57.19 124.54 19.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.58 176.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 14' ' ' ARG . 97.2 mt -101.97 128.69 48.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.119 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 24.1 mt-30 -119.39 127.05 52.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.02 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.84 116.86 23.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.94 162.77 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.126 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 88.0 m -99.01 161.36 25.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.773 0.321 . . . . 0.0 110.598 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.59 -35.64 89.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.556 2.171 . . . . 0.0 111.625 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.84 -27.58 14.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.52 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 25.6 m -100.94 101.61 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.664 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.62 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.705 0.764 . . . . 0.0 108.99 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -88.26 142.93 31.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.601 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.38 120.99 7.02 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.675 2.25 . . . . 0.0 111.602 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 11.6 mt -70.21 -173.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.084 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.49 132.86 42.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 50' ' ' VAL . 89.3 t -76.64 104.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.697 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 53' ' ' PHE . 37.9 mt -105.64 153.65 21.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.427 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -108.81 124.2 50.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.045 0.45 . . . . 0.0 111.581 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.44 95.51 4.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.428 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m 64.62 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.273 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.57 6.1 4.52 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 145.31 26.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.534 0.206 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 43' ' ' VAL . 71.8 t -90.41 112.15 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.0 118.06 35.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.032 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 88.7 m-85 -88.31 114.11 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.26 0.552 . . . . 0.0 109.901 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 31.1 t80 -150.2 97.33 2.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 41' ' ' LEU . 3.1 p -78.56 88.58 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.274 0.559 . . . . 0.0 112.271 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 19.1 mm-40 -69.35 -22.72 63.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.668 174.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.93 126.34 52.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.122 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.25 16.09 63.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.202 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -170.39 -70.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . 135.21 -97.17 0.28 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.096 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 pp -153.46 149.49 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.7 mp -128.94 138.8 53.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.3 t -61.12 125.99 25.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' HG21 ' A' ' 66' ' ' VAL . 25.3 mmtp -65.33 -10.13 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -85.54 -21.01 28.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.161 0.505 . . . . 0.0 110.388 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.16 12.18 20.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG21 ' HD3' ' A' ' 63' ' ' LYS . 98.2 t -77.74 137.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.857 177.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.3 67.5 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 7.8 p90 -84.59 118.69 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.3 m -124.6 174.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.203 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 28' ' ' PHE . 84.3 mt -82.1 111.95 19.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.64 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -139.05 81.22 1.83 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.726 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 12.1 p-10 -93.87 -16.88 23.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.419 -173.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -124.41 92.01 3.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.846 0.355 . . . . 0.0 111.613 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -90.1 -171.38 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.12 -33.27 75.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.4 m80 68.77 8.8 6.99 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.42 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 51.4 77.21 0.14 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.64 0.587 . . . . 0.0 109.985 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -66.65 93.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.455 0.645 . . . . 0.0 110.757 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -96.05 120.75 36.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.107 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 81' ' ' HIS . 14.0 m170 -87.36 119.38 27.57 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 173.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 55.3 m-70 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.957 0.786 . . . . 0.0 109.738 -171.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -81.39 136.73 35.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.506 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 12' ' ' LEU . 22.2 mt -68.19 109.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.163 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 p -131.34 144.07 50.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.584 ' HB2' HD21 ' A' ' 12' ' ' LEU . 36.8 t -79.65 135.35 56.46 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 57.1 Cg_endo -70.7 -5.33 16.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.189 2.593 . . . . 0.0 113.857 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.5 p -115.88 -48.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.294 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.66 94.98 5.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -60.27 87.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.475 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -147.6 156.02 42.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 131.39 44.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 5' ' ' CYS . 28.3 mt -88.78 155.9 19.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.509 . . . . 0.0 111.435 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.46 96.08 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -72.31 135.67 46.01 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.301 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -138.88 90.6 2.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.688 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.0 -114.62 6.96 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.07 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.12 -24.6 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.407 0.622 . . . . 0.0 110.808 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -108.4 151.23 26.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.317 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -112.45 109.23 18.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.59 172.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -83.07 119.91 25.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.593 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' HA ' HD22 ' A' ' 12' ' ' LEU . 21.8 t -78.88 135.6 37.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.99 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -64.4 -89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.747 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.525 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 63.8 p -67.96 146.19 53.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 23' ' ' THR . 19.0 p 54.16 93.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.134 0.896 . . . . 0.0 110.276 -169.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.31 100.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.817 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 mttp -142.86 119.22 10.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.461 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-10 -103.85 126.02 50.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.662 . . . . 0.0 110.048 173.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' HB3' HG23 ' A' ' 70' ' ' ILE . 46.6 m-85 -106.62 134.98 48.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.567 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -74.27 125.29 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 19' ' ' ALA . 83.3 mt -100.1 120.31 39.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 73.9 mt-30 -111.58 146.61 37.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.914 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -88.3 120.78 29.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.34 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.3 mm? -106.52 140.71 38.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' A' ' 41' ' ' LEU . 28.4 p -101.13 138.74 20.05 Favored Pre-proline 0 N--CA 1.448 -0.552 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.59 -25.31 74.17 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.833 3.022 . . . . 0.0 114.036 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.78 30.58 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.231 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -91.01 -50.03 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.163 -0.336 . . . . 0.0 111.479 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 60.79 21.26 11.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.349 0.595 . . . . 0.0 110.801 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -131.28 157.62 77.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.66 110.57 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.471 2.781 . . . . 0.0 113.811 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD11 ' SG ' ' A' ' 34' ' ' CYS . 10.0 mp -73.12 148.74 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 172.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 96.4 mt-30 -60.27 116.54 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 111.21 -175.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 2.6 p -71.2 109.58 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.591 0.71 . . . . 0.0 110.536 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 55' ' ' GLN . 59.8 mt -121.25 110.66 16.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.31 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -92.6 89.56 6.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.48 85.83 5.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m 66.3 -83.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.654 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.5 7.67 12.31 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.247 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.39 138.9 54.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.98 114.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' OD2' ' HD2' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -121.77 160.05 25.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.178 -176.402 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.617 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 53.1 m-85 -140.18 97.49 3.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.866 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . 47.7 p90 -155.51 151.36 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.103 0.478 . . . . 0.0 111.57 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 58' ' ' HIS . 9.0 m -72.16 88.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.047 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' HD11 ' A' ' 44' ' ' LEU . 63.3 tt0 -61.03 -45.91 92.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -123.45 149.29 45.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.965 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -25.89 26.67 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.054 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 0.4 OUTLIER -138.46 -63.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.08 152.93 7.24 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.84 135.69 51.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.203 0.525 . . . . 0.0 110.916 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -103.83 140.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 65' ' ' ARG . 7.1 m -50.06 124.45 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.515 0.509 . . . . 0.0 110.839 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 85.4 tttt -64.26 -25.01 67.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.921 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.97 1.53 52.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.175 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 72.1 ttt180 -116.02 -23.54 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 27.0 m -64.49 156.73 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.703 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -108.65 105.42 15.02 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.776 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 26.0 m-85 -81.27 110.21 16.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 177.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.16 174.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 28' ' ' PHE . 78.0 mt -76.79 114.26 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.882 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 m -138.12 125.5 21.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.14 -177.56 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -133.47 2.33 3.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.661 0.267 . . . . 0.0 110.577 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt 63.4 26.49 14.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.58 0.705 . . . . 0.0 109.576 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.61 105.84 16.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.013 -0.994 . . . . 0.0 108.388 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -87.54 19.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.276 -170.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 40.5 t60 75.75 140.98 0.07 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.251 0.62 . . . . 0.0 111.516 172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 t60 67.2 85.9 0.14 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.934 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.02 85.9 2.4 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.203 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -111.33 -26.29 9.21 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 168.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.5 m80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 117.924 -1.036 . . . . 0.0 108.622 170.42 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -64.32 124.38 21.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.507 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -69.06 107.73 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 11' ' ' ALA . 1.5 m -128.54 134.74 48.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.688 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -69.82 132.55 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 28.2 Cg_exo -61.72 -73.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.109 2.539 . . . . 0.0 113.668 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.26 -28.56 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -96.63 36.99 1.31 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.661 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -42.98 96.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.445 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' HG21 ' A' ' 23' ' ' THR . 16.3 t-80 -178.81 65.1 0.01 OUTLIER 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.687 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . 57.01 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 5' ' ' CYS . 53.0 mt -111.26 164.59 12.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.423 173.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 42.5 tt0 -118.08 110.75 18.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 14' ' ' ARG . 18.9 ptt85 -77.91 128.54 34.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 0.0 111.19 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -84.54 -16.03 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.066 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.49 -73.68 0.4 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.43 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -88.95 -21.89 23.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.509 . . . . 0.0 110.149 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -127.22 165.14 20.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.98 151.73 27.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -142.16 135.1 28.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.864 0.364 . . . . 0.0 111.008 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.687 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 36.3 m -79.33 112.89 17.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.472 . . . . 0.0 109.803 172.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 4.6 pm0 -86.7 -14.02 43.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.157 0.98 . . . . 0.0 109.449 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.573 HG21 ' HB3' ' A' ' 10' ' ' HIS . 11.9 m -93.1 -10.34 36.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.814 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -153.61 -171.57 3.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.85 -167.437 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.63 68.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.55 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 28.5 mtpp -137.96 135.1 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.11 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -120.79 136.03 55.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.545 ' HB3' HG23 ' A' ' 70' ' ' ILE . 61.3 m-85 -116.86 125.36 51.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 111.623 -174.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -76.28 122.26 24.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.673 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.9 mt -100.32 125.43 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.156 0.503 . . . . 0.0 111.096 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -111.62 99.71 8.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.161 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.36 98.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.913 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -105.44 148.16 27.47 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.199 0.523 . . . . 0.0 110.987 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 41' ' ' LEU . 11.0 p -96.75 110.03 51.39 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.069 176.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 51.4 Cg_exo -55.05 -36.27 92.37 Favored 'Trans proline' 0 N--CA 1.473 0.29 0 C-N-CA 123.941 3.094 . . . . 0.0 113.588 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.58 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 27.6 p -84.64 84.45 7.67 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -81.97 89.79 6.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.62 0.724 . . . . 0.0 111.194 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.516 ' HB2' ' NE2' ' A' ' 58' ' ' HIS . 66.6 mt-30 -148.08 158.64 41.47 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.36 117.23 1.88 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.681 HD11 ' SG ' ' A' ' 34' ' ' CYS . 8.8 mp -76.35 176.14 8.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.79 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.56 122.77 30.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.7 t -78.43 99.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.633 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -89.01 89.72 8.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.206 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.538 ' HB3' HG12 ' A' ' 50' ' ' VAL . 11.5 pttt -86.09 100.34 12.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 83.61 8.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 m 63.96 24.27 13.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.565 175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.92 -65.47 0.38 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.945 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -81.77 145.81 30.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.547 0.213 . . . . 0.0 110.816 -176.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 45' ' ' LYS . 35.8 m -97.17 148.9 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.087 0.47 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -144.48 130.31 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 54.1 m-85 -93.72 114.51 26.82 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -149.27 129.6 13.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.952 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 59.1 m -71.79 88.67 1.02 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.84 -50.39 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -107.67 -53.21 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.236 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 54' ' ' CYS . . . -91.85 169.25 32.26 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.103 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.675 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 2.6 m80 71.07 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.28 0.632 . . . . 0.0 111.248 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 148.05 120.22 1.13 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.3 pt? -59.95 103.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 111.122 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.3 mm -83.44 132.93 30.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 m -49.85 136.69 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.4 0.438 . . . . 0.0 110.228 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' HG23 ' A' ' 66' ' ' VAL . 42.0 tttp -64.27 -19.17 65.22 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -171.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.13 -16.1 59.95 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -104.08 -4.38 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -76.64 125.87 36.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.759 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -94.35 100.96 12.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.314 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -72.86 100.2 2.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.647 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.99 126.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.7 mt -73.21 96.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -146.58 109.88 4.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.44 104.69 12.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 172.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -111.93 24.88 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.5 -173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.71 -30.69 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 5.08 39.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.945 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.1 m170 65.03 86.39 0.13 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -167.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.68 106.51 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.54 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -132.61 115.63 15.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.037 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -68.21 -61.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -157.52 -37.44 0.07 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.3 p80 . . . . . 0 C--O 1.245 0.84 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.872 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.33 136.77 46.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.994 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.41 HD13 HD11 ' A' ' 30' ' ' LEU . 47.0 mt -73.6 113.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 63.8 p -116.86 137.67 52.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 40.9 t -66.68 131.97 94.06 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.48 -25.71 75.05 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.245 2.63 . . . . 0.0 113.559 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.1 p -101.21 -1.5 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.334 0.588 . . . . 0.0 110.76 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.733 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 58.5 m -112.12 -39.49 4.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.4 m80 60.15 20.33 9.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.696 0.76 . . . . 0.0 109.7 -170.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 25.4 m80 -107.02 145.72 31.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.368 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.64 131.15 41.35 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.305 0.378 . . . . 0.0 110.075 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 21' ' ' CYS . 30.7 mt -85.13 142.1 29.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.461 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.22 124.38 25.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.663 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' THR . 47.7 ttt180 -104.54 98.5 8.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.374 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.94 -87.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.89 57.63 0.92 Allowed Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 14' ' ' ARG . 2.7 t0 61.47 17.53 8.54 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 122.055 0.931 . . . . 0.0 110.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 6.4 m -108.25 140.54 41.34 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 12' ' ' LEU . . . -111.23 105.76 14.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 111.791 -170.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -83.47 126.2 32.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.701 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.622 ' HA ' HD22 ' A' ' 12' ' ' LEU . 41.8 t -78.98 132.74 36.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.959 0.409 . . . . 0.0 110.769 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -38.36 88.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.041 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -108.99 -33.07 7.02 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -83.39 -9.39 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.509 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 58.23 31.54 20.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.548 0.69 . . . . 0.0 110.666 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -126.05 119.44 27.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.675 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.16 143.18 30.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.283 0.563 . . . . 0.0 110.459 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -105.39 127.91 53.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.678 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -83.38 120.62 26.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD11 HD13 ' A' ' 3' ' ' ILE . 87.7 mt -100.44 147.33 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.955 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -117.08 124.35 49.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.296 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.91 118.05 15.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.371 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 33' ' ' LEU . 13.6 tp -126.99 162.83 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 64.9 m -96.59 125.03 48.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.38 -17.3 27.29 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 121.969 1.78 . . . . 0.0 110.928 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 34' ' ' CYS . 6.0 p-10 -91.59 -16.85 26.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 2.3 p -164.8 91.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.484 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -80.87 76.14 7.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.396 0.617 . . . . 0.0 111.922 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' HD23 ' A' ' 41' ' ' LEU . 81.1 mm-40 -141.99 165.85 25.19 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.2 123.51 10.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.173 1.915 . . . . 0.0 112.235 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 9.9 mt -80.54 -179.62 7.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.286 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.41 116.77 23.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 t -76.77 103.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.206 0.526 . . . . 0.0 110.483 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.2 104.16 16.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -90.79 119.44 31.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.57 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.97 -94.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.882 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.14 -68.66 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.47 30.23 6.31 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.19 161.39 30.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.106 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 143.21 34.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.115 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -131.36 167.63 18.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 93.7 m-85 -123.22 106.87 11.11 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.04 135.81 18.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.407 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.738 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 23.8 m -78.66 107.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.156 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -81.81 -51.38 8.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -148.47 144.85 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.328 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.76 44.21 7.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.876 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.738 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 3.2 t-80 -169.94 -65.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.068 0.434 . . . . 0.0 110.077 175.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.09 100.74 0.39 Allowed Glycine 0 C--O 1.24 0.527 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.63 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.54 150.14 36.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.167 0.508 . . . . 0.0 111.45 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -128.78 162.99 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 m -71.27 114.73 9.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 8.1 ptmm? -74.17 1.01 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -167.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -24.54 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.53 . . . . 0.0 109.94 169.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 73.0 ttt180 -116.45 29.16 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.712 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 32' ' ' ALA . 42.4 t -66.95 143.58 15.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.39 83.09 6.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 84.2 m-85 -76.5 103.64 6.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.224 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.26 153.17 7.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.24 123.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -70.76 97.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.954 -173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.13 150.78 28.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.449 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -92.81 4.09 54.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.205 0.526 . . . . 0.0 110.182 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.8 mt -83.79 74.04 10.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.692 175.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.28 -56.75 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.502 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -82.59 106.97 14.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.154 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.18 -14.61 57.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.602 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -110.83 131.08 55.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.72 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -119.18 -77.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -157.52 139.56 14.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.175 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 t60 . . . . . 0 C--O 1.247 0.933 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.642 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.633 0.254 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -95.19 158.9 15.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.595 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -71.56 142.01 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 3.5 p -122.56 136.06 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 111.36 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 52.0 t -64.72 139.63 97.82 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 49.9 Cg_exo -56.79 -30.98 86.92 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.229 2.619 . . . . 0.0 113.269 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.28 -54.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 0.0 110.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.47 84.5 1.98 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.317 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' HA ' ' HB ' ' A' ' 4' ' ' THR . 43.8 m80 -70.36 77.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 172.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -123.83 -71.42 0.72 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.255 -175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.92 141.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.503 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 HG22 ' A' ' 3' ' ' ILE . 49.7 mt -112.0 146.19 38.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 177.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 17.7 mt-10 -87.64 87.78 7.48 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.746 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -84.72 104.98 15.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.008 0.432 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.69 24.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.97 -97.01 0.59 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -105.01 14.01 30.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.512 0.672 . . . . 0.0 110.406 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 m -141.43 133.73 28.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.977 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.79 125.37 52.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.654 0.264 . . . . 0.0 111.017 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.47 ' HD2' ' OE2' ' A' ' 13' ' ' GLU . 59.5 t60 -102.06 140.59 36.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.47 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 t -114.42 113.07 24.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.1 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.25 -44.1 72.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.617 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 38.7 p -66.26 118.45 9.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 23' ' ' THR . 25.4 p 51.54 93.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.486 0.66 . . . . 0.0 110.59 -171.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 93.99 0.01 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.193 -176.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -141.82 130.47 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.396 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.88 128.22 55.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -107.02 128.3 54.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.78 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -78.95 122.97 26.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 88.0 mt -100.73 139.42 36.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.42 -175.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -111.43 124.67 52.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.78 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -68.85 112.94 5.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 69' ' ' VAL . 1.9 tp -123.18 155.48 36.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 6.1 m -97.51 141.83 23.62 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 175.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.36 -25.68 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.446 2.097 . . . . 0.0 110.213 168.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 2.9 p-10 -79.15 -84.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.806 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 5.9 p -85.63 99.72 11.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.411 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -83.64 70.93 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.757 0.789 . . . . 0.0 110.258 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.474 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 88.8 mt-30 -143.95 175.01 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.301 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 33.8 Cg_exo -61.66 3.37 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.75 2.3 . . . . 0.0 114.017 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' SG ' ' A' ' 54' ' ' CYS . 52.1 mt 63.16 -89.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.137 0.575 . . . . 0.0 111.284 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -164.31 119.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.46 118.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 53' ' ' PHE . 97.9 mt -122.42 139.21 54.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.679 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 42.0 mtpt -96.6 148.91 22.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 47' ' ' CYS . . . 73.75 -154.46 0.06 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 124.127 0.892 . . . . 0.0 109.061 -170.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 37.8 t 69.74 -59.98 0.49 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 -173.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.3 -48.5 0.18 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.19 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -121.43 98.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -104.58 159.03 16.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.773 -166.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.52 96.8 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 45.7 t80 -148.79 105.69 3.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.773 -165.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 41' ' ' LEU . 9.7 p -89.42 88.54 7.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.976 -174.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -65.01 -43.57 92.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.975 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -110.58 173.19 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.545 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.12 -62.78 4.58 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -105.66 -75.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.9 135.93 2.27 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.071 -175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -62.81 133.42 54.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 66' ' ' VAL . 1.6 mp -113.04 133.22 59.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 66' ' ' VAL . 17.7 m -59.27 137.28 58.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.7 mttt -69.15 2.78 2.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 112.183 -174.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 4.6 tmtm? -86.13 -20.78 28.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 172.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -112.33 -14.18 13.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.142 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 61' ' ' ILE . 91.8 t -65.56 139.58 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -84.23 100.24 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.959 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.528 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 96.5 m-85 -84.85 107.22 16.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.368 . . . . 0.0 110.734 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 33' ' ' LEU . 13.6 p -102.1 143.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.15 136.14 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.48 ' HB3' HD21 ' A' ' 74' ' ' LEU . 17.2 m -73.25 80.84 1.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.085 0.469 . . . . 0.0 110.399 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -94.08 -47.32 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.114 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.99 97.53 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 110.616 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 71' ' ' SER . 97.9 mt -118.99 93.3 4.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -67.47 -66.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.597 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -87.28 134.45 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -138.15 115.69 11.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 0.0 111.077 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -104.95 73.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.248 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -99.85 -28.38 13.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -100.87 169.02 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.879 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 . . . . . 0 C--O 1.248 0.98 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.046 0.45 . . . . 0.0 110.155 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -114.53 157.97 22.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.259 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -74.62 89.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.581 0.705 . . . . 0.0 111.112 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.6 m -123.73 126.25 46.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.833 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.53 ' HB2' HD21 ' A' ' 12' ' ' LEU . 40.9 t -75.35 120.63 82.54 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.83 1.39 7.09 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.882 2.388 . . . . 0.0 112.924 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 t -94.28 -31.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.64 -8.32 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.311 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 t60 61.15 32.83 19.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.409 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.24 143.72 44.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 140.08 52.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.009 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 5' ' ' CYS . 72.1 mt -98.53 163.4 12.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.122 0.487 . . . . 0.0 111.798 -172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -95.58 130.03 42.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.731 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.8 110.01 22.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -121.61 87.38 2.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 0.0 109.866 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.22 -118.4 14.33 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.784 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.61 -10.08 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -125.98 135.39 51.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.26 0.552 . . . . 0.0 112.229 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.48 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -111.01 112.32 24.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.425 ' HD2' ' OE2' ' A' ' 22' ' ' GLU . 71.4 t60 -91.08 129.86 37.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.631 ' SG ' 'ZN ' ' A' ' 150' ' ' ' ZN' . 32.8 t -96.41 110.83 23.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 62.1 mm-40 -65.13 -74.81 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.201 0.313 . . . . 0.0 110.469 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -63.67 130.25 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.819 ' HG ' 'ZN ' ' A' ' 150' ' ' ' ZN' . 14.5 p 48.7 92.45 0.02 OUTLIER 'General case' 0 C--O 1.249 1.064 0 C-N-CA 123.304 0.642 . . . . 0.0 109.938 -166.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -60.96 116.89 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 mtpp -151.45 123.6 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.396 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.79 112.15 24.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 0.0 110.149 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 26' ' ' LYS . 92.8 m-85 -99.35 121.34 40.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.664 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.68 17.89 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 25.7 mt -106.08 142.95 34.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.058 0.456 . . . . 0.0 111.544 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -137.6 133.5 34.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.489 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.15 120.76 18.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.683 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.4 159.33 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.244 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.62 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -96.72 115.56 65.73 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 -175.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.569 ' HG3' ' HB2' ' A' ' 67' ' ' ASN . 7.8 Cg_exo -72.64 60.15 3.45 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.789 2.326 . . . . 0.0 109.592 171.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.509 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t0 -168.39 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.561 -163.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -27.58 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' H ' ' HB3' ' A' ' 34' ' ' CYS . 54.3 ttt180 58.99 24.95 13.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.851 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.75 166.27 46.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 170.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.0 -0.2 3.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.35 2.033 . . . . 0.0 111.865 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 34' ' ' CYS . 77.3 mt 64.68 -174.79 0.17 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.11 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.34 121.24 44.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.598 HG22 ' CE2' ' A' ' 52' ' ' TYR . 17.5 t -73.55 118.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.332 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 mt -111.5 97.82 7.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.406 0.622 . . . . 0.0 110.144 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.01 105.67 15.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.116 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -98.66 177.75 5.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.5 m -71.83 101.97 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.034 0.445 . . . . 0.0 110.303 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.41 77.34 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.491 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -150.81 151.62 32.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.62 106.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.623 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -110.17 157.12 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 27.8 m-85 -130.38 103.95 6.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.03 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HA ' HD13 ' A' ' 41' ' ' LEU . 29.3 p90 -160.91 149.31 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.3 0.571 . . . . 0.0 111.264 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.42 100.52 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.442 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.01 172.72 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.955 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.48 -57.22 5.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 2.9 t-160 -121.11 -73.12 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.0 162.64 10.06 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.597 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.25 136.73 15.05 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.389 0.676 . . . . 0.0 112.395 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.1 mp -112.17 140.36 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 171.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -53.86 116.15 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 16.6 ptpt -64.73 -9.21 18.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -167.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 7.8 mtpm? -77.63 -31.81 52.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.886 0.374 . . . . 0.0 110.544 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -105.46 2.07 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 88.8 t -68.45 134.27 30.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.569 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 54.1 t30 -83.91 95.77 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.693 -173.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -71.91 107.29 4.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.568 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.12 159.33 2.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.21 113.32 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.21 0.529 . . . . 0.0 110.036 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 t -75.35 81.52 2.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.973 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.53 -58.34 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.552 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -149.61 97.35 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.361 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.21 151.2 26.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.99 3.58 11.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.149 0.499 . . . . 0.0 110.846 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -102.84 11.83 37.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.393 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -63.37 144.84 56.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.71 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -70.88 86.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.143 0.497 . . . . 0.0 110.968 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -89.67 -62.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.477 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -162.77 129.27 3.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.392 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.0 t60 . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.538 177.464 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . 0.819 'ZN ' ' HG ' ' A' ' 24' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.982 0.42 . . . . 0.0 110.577 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 11' ' ' ALA . 2.4 tm-20 -105.68 141.22 37.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 12' ' ' LEU . 36.6 mt -62.89 -54.64 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 110.456 -175.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 m 67.57 128.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.645 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.0 t -74.95 112.79 19.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.14 -23.26 73.03 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.217 2.611 . . . . 0.0 113.514 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.68 7.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 111.685 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -131.63 -27.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.9 16.81 10.63 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.497 0.665 . . . . 0.0 109.963 -177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -95.81 158.96 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.266 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . . . -79.63 123.27 27.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.964 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD12 ' HB ' ' A' ' 3' ' ' ILE . 35.0 mt -68.77 118.45 11.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 111.176 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.28 95.64 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.151 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.556 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 17.5 ptt180 -99.94 149.04 23.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.451 0.643 . . . . 0.0 111.166 -174.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -88.4 -9.95 50.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.888 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.05 -59.58 0.67 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.54 -46.69 8.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.17 -0.515 . . . . 0.0 110.974 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 29' ' ' SER . 1.1 p -108.42 156.16 19.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . . . -123.46 134.61 53.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -177.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -112.65 124.52 52.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.717 0.294 . . . . 0.0 110.679 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.1 t -92.92 115.32 28.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -30.24 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.534 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.08 58.49 2.17 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.379 0.609 . . . . 0.0 110.307 176.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 m -177.0 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.009 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.43 22.06 11.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.777 0.798 . . . . 0.0 109.49 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -110.15 126.87 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.836 -176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -99.67 130.43 45.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.642 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -98.44 128.29 44.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.183 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' THR . 15.9 t -99.65 113.22 25.53 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.367 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.0 mp -102.92 164.71 11.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.402 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -111.57 142.13 44.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -82.54 95.81 7.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.062 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . 12.1 tp -97.14 157.44 15.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HB3' HG13 ' A' ' 61' ' ' ILE . 2.2 p -98.9 108.99 52.07 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.78 0.324 . . . . 0.0 110.14 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.61 -33.86 54.05 Favored 'Trans proline' 0 N--CA 1.474 0.376 0 C-N-CA 123.479 2.786 . . . . 0.0 114.07 -171.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.64 -50.86 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.218 0.532 . . . . 0.0 111.015 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 26.0 p -116.87 82.2 1.76 Allowed 'General case' 0 C--O 1.25 1.079 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.811 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -77.22 88.27 3.66 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.756 0.66 . . . . 0.0 112.238 -168.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.709 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 74.0 mt-30 -153.8 157.76 32.58 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -44.35 124.19 4.98 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.118 2.545 . . . . 0.0 113.103 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 33' ' ' LEU . 5.2 mp -80.74 -178.49 6.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.367 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 62.3 tt0 -90.86 127.38 36.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.54 103.02 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.141 0.496 . . . . 0.0 110.714 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.3 mt -94.17 97.2 10.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.484 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.05 132.15 35.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.961 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.46 -169.36 1.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.44 88.24 3.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.089 0.471 . . . . 0.0 110.308 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -39.99 2.57 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.176 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.73 131.73 34.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 111.072 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.3 107.23 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.344 0.592 . . . . 0.0 110.067 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.89 131.9 38.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 95.4 m-85 -89.94 104.42 16.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 28.7 t80 -148.98 105.52 3.54 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.4 p -78.73 94.65 5.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.194 0.521 . . . . 0.0 110.62 -177.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -95.91 -57.88 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.07 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -79.46 7.35 8.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.257 0.551 . . . . 0.0 111.164 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -159.05 159.4 30.32 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 10.5 m170 68.76 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 117.295 0.547 . . . . 0.0 110.763 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.6 131.76 2.26 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -52.25 129.91 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.29 0.567 . . . . 0.0 111.203 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 34' ' ' CYS . 39.7 mm -101.6 132.11 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.778 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -55.88 133.96 51.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -75.26 8.34 2.78 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.791 0.664 . . . . 0.0 112.791 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -97.88 -56.96 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 171.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -84.4 67.12 9.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.856 0.836 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 44.4 t -106.57 140.78 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.779 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 3.7 t-20 -83.46 80.27 9.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -72.67 102.25 3.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.1 p -125.2 142.38 42.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.773 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.449 HG12 ' HG ' ' A' ' 30' ' ' LEU . 35.9 mt -82.13 85.01 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 171.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 m -65.31 116.72 6.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.273 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.82 86.96 4.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -120.07 2.52 10.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.412 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.74 143.04 32.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.6 110.79 3.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.116 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -106.49 14.68 26.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 m170 71.65 118.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.192 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -65.66 -38.61 89.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.1 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -85.48 94.69 9.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.301 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -145.07 165.79 27.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.208 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.1 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.984 -179.647 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtm . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.472 0.177 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 62.25 -173.99 0.14 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.446 0.641 . . . . 0.0 110.767 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.55 99.17 8.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 166.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.547 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 3.0 m -119.13 125.7 49.87 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.2 t -67.93 122.68 84.78 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -39.91 74.4 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.52 2.813 . . . . 0.0 113.721 -173.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.82 -11.16 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.027 0.442 . . . . 0.0 111.334 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 10' ' ' HIS . 76.1 m -103.94 -52.01 3.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 41.5 t60 54.11 43.2 31.05 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.864 0.84 . . . . 0.0 109.119 -167.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 16.3 m80 -130.97 25.07 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.061 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.26 -173.97 0.14 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.21 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 5' ' ' CYS . 85.6 mt -144.81 163.49 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.57 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.21 127.35 51.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -79.23 113.05 17.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.906 0.384 . . . . 0.0 110.017 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.85 -15.17 57.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.205 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.04 -77.52 0.23 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.237 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.57 -14.25 16.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 29' ' ' SER . 34.3 p -123.6 167.5 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.902 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.84 123.15 49.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -97.41 122.65 40.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.965 0.412 . . . . 0.0 110.824 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 4.9 t -92.62 113.86 26.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.438 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -76.55 -57.21 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -66.09 114.46 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 2.9 p 59.14 97.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.7 0.762 . . . . 0.0 109.192 -164.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -70.83 100.73 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.076 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -151.53 149.76 29.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.148 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.95 148.99 33.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.124 0.488 . . . . 0.0 110.659 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 70' ' ' ILE . 79.7 m-85 -120.28 128.89 53.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 18' ' ' THR . 50.7 m -73.63 125.41 27.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 85.6 mt -100.11 135.04 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.206 0.527 . . . . 0.0 111.161 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -118.6 120.98 39.09 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.311 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -66.31 115.66 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.9 tp -125.23 155.28 40.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 61' ' ' ILE . 5.0 t -105.36 130.62 22.78 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.62 -39.11 67.15 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 C-N-CA 123.203 2.602 . . . . 0.0 113.595 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.24 -14.28 58.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.527 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.29 91.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.284 0.564 . . . . 0.0 110.736 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -85.15 76.23 10.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.687 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mt-30 -147.89 176.24 2.32 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.623 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.687 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 11.4 Cg_endo -56.38 107.5 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.77 1.647 . . . . 0.0 110.893 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 52' ' ' TYR . 77.3 mt -72.96 -171.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.747 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG2' ' HA ' ' A' ' 54' ' ' CYS . 49.6 mm-40 -80.52 102.3 9.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.63 101.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.21 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.34 117.05 33.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.32 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -85.34 126.04 33.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 0.0 111.309 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.37 -169.25 2.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.699 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p -52.68 -55.47 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.432 . . . . 0.0 111.154 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 38.27 1.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.749 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 166.6 30.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.3 t -120.66 115.22 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.64 117.92 33.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.424 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.641 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 97.3 m-85 -89.46 96.78 10.85 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 10.2 t80 -144.99 116.25 7.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 59.9 m -67.65 90.04 0.26 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.8 -37.73 29.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.857 0.361 . . . . 0.0 110.765 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -124.27 -26.41 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.74 24.54 12.16 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.545 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 0.5 OUTLIER 172.41 -60.93 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.8 147.59 6.12 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.4 pt? -54.29 135.94 43.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 110.837 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.58 HG12 ' SG ' ' A' ' 34' ' ' CYS . 3.2 mp -102.77 155.82 5.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.395 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 129.36 41.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HA ' HG23 ' A' ' 66' ' ' VAL . 87.5 mttt -68.57 -17.54 64.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -171.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -85.57 -2.72 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.995 0.426 . . . . 0.0 110.614 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -110.86 8.69 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' LYS . 21.9 t -80.03 103.78 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -74.49 93.85 2.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.083 0.468 . . . . 0.0 111.136 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.75 107.81 5.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.87 169.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.143 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.466 HG23 ' HB3' ' A' ' 28' ' ' PHE . 72.2 mt -101.49 112.28 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.8 m -114.83 103.58 11.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.232 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -114.49 -6.09 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.331 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -79.01 -73.45 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.706 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 75' ' ' GLU . 10.5 mp 56.51 -164.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.046 0.451 . . . . 0.0 111.647 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 74' ' ' LEU . 2.7 mp0 -89.02 86.85 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -100.91 -39.86 7.56 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 17.5 t-160 -170.8 49.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 17.2 m-70 68.61 179.77 0.23 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.151 -168.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -96.82 92.1 5.98 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -85.08 124.31 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.986 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.147 176.254 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.709 0.29 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -102.77 155.46 18.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -77.06 125.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 11' ' ' ALA . 1.5 t -155.7 141.87 18.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -60.74 125.57 83.21 Favored Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.88 -60.27 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.975 2.45 . . . . 0.0 113.211 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.94 -23.45 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 0.0 111.438 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -116.13 56.65 0.77 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.511 0.672 . . . . 0.0 109.914 177.368 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.23 128.24 34.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.765 -172.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.746 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 27.2 t-80 -178.94 -60.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' THR . . . -175.35 -174.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.749 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 5' ' ' CYS . 13.1 mt -144.31 143.8 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.288 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -107.12 104.28 13.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.035 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.08 114.22 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.292 0.568 . . . . 0.0 110.389 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.31 -1.76 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.91 -55.06 0.74 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.491 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -85.43 -35.22 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.173 0.511 . . . . 0.0 110.548 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -139.76 165.55 26.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.229 0.538 . . . . 0.0 111.516 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.62 110.92 21.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -93.61 133.93 36.43 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.748 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.686 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 10.7 m -79.35 150.69 31.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.793 0.806 . . . . 0.0 110.749 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.746 ' OE2' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -78.58 -72.42 0.38 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.837 -166.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -105.32 1.95 28.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.81 0.814 . . . . 0.0 110.003 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -112.05 138.11 49.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.461 174.141 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.79 75.86 6.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.44 . . . . 0.0 111.039 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 26.1 mtpp -138.48 141.27 39.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -133.4 120.85 21.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 60.3 m-85 -98.8 139.39 34.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.818 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -78.7 125.02 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.07 132.12 45.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.772 0.32 . . . . 0.0 110.245 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -111.96 128.05 56.05 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -65.58 98.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.762 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 151.42 20.81 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.735 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.559 ' SG ' ' HG ' ' A' ' 41' ' ' LEU . 1.9 p -96.2 109.03 45.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' HG21 ' A' ' 61' ' ' ILE . 23.6 Cg_endo -60.97 -49.51 8.1 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 123.368 2.712 . . . . 0.0 113.691 -172.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.45 -57.49 11.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 110.383 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 26.4 p -105.49 85.18 2.2 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 46.4 ttp180 -74.28 91.21 2.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.87 0.843 . . . . 0.0 111.412 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -171.95 165.48 4.07 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 113.951 -1.477 . . . . 0.0 107.8 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 82.6 Cg_exo -42.12 149.24 0.31 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 123.619 2.879 . . . . 0.0 113.962 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' HG ' ' SG ' ' A' ' 34' ' ' CYS . 5.2 mp -112.39 -171.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.358 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 6.5 tp60 -84.75 129.13 34.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.8 t -79.27 103.92 6.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 65.7 mt -95.29 130.64 41.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.869 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.9 125.96 47.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.04 170.06 8.78 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.4 p -56.96 -45.22 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.0 111.648 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.48 30.23 3.48 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.521 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -158.09 156.11 30.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.975 0.416 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.39 106.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.43 139.29 34.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.035 0.445 . . . . 0.0 111.461 -172.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 55.8 m-85 -96.25 108.22 20.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 7.0 t80 -151.16 105.84 3.27 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 2.1 p -80.02 88.27 5.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.832 -174.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -78.44 -68.67 0.62 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.412 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -89.61 111.49 22.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.585 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.38 -51.6 0.8 Allowed Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.644 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.6 m170 -116.45 -58.12 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.603 -0.351 . . . . 0.0 110.31 -177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.22 -98.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.254 175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.86 107.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 ' HD2' ' A' ' 35' ' ' PRO . 20.4 mm -88.67 125.45 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.043 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t -51.37 132.72 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.238 0.336 . . . . 0.0 110.163 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 66' ' ' VAL . 65.9 pttt -64.0 -13.81 49.33 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.736 -173.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -86.43 -15.03 41.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 0.0 110.208 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -111.0 -6.77 14.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 -176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 32' ' ' ALA . 59.2 t -61.44 119.33 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -92.63 99.7 12.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 -175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.42 103.1 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -117.21 147.91 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.895 0.379 . . . . 0.0 111.505 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.92 127.76 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.819 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -110.87 166.59 10.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.782 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -68.13 106.12 2.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -118.09 -20.72 8.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.921 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.18 121.57 27.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 66.47 -18.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 170.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -79.26 9.63 4.43 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.027 -0.421 . . . . 0.0 111.888 -175.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -85.79 -7.4 58.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.91 148.11 28.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -152.41 129.42 11.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.243 0.544 . . . . 0.0 111.769 -172.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -154.28 -39.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.153 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.9 p80 . . . . . 0 C--O 1.242 0.677 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.504 172.02 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.682 0.277 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -119.18 127.34 53.21 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 12' ' ' LEU . 1.1 pp -77.91 127.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -115.27 155.62 26.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.581 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HB2' HD21 ' A' ' 12' ' ' LEU . 42.5 t -75.95 111.73 16.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.68 -25.73 76.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.871 2.381 . . . . 0.0 112.856 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.494 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.4 p -93.4 -7.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.292 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -124.29 -17.11 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 64.25 12.72 7.38 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.767 0.794 . . . . 0.0 110.283 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -100.4 150.71 22.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.012 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.57 135.47 43.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.7 mt -84.72 117.7 23.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.344 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.89 119.55 15.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.056 -0.657 . . . . 0.0 109.533 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 14.3 ttp85 -83.65 111.94 19.58 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.774 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.73 0.776 . . . . 0.0 109.233 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 137.26 -77.64 0.34 Allowed Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.882 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.14 -14.19 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.446 0.641 . . . . 0.0 110.181 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 27' ' ' ASP . 24.8 m -138.16 146.25 42.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -110.87 140.58 45.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -127.83 129.16 46.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 44.3 t -97.48 125.72 42.32 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.752 174.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 5.0 mm-40 -77.59 -28.38 51.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 111.259 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -85.77 18.05 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.568 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HE2' ' A' ' 26' ' ' LYS . 12.7 m -146.6 -37.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.872 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.35 17.8 5.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.306 0.642 . . . . 0.0 110.176 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 46.7 mtmt -91.49 144.31 25.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.956 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HB3' HG21 ' A' ' 18' ' ' THR . 32.0 m-20 -114.55 130.0 56.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.84 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -112.09 136.43 51.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -80.85 136.45 36.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 19' ' ' ALA . 98.6 mt -111.5 132.61 54.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.905 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -112.28 136.74 51.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.175 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.99 114.35 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 38' ' ' ARG . 3.0 mp -111.59 147.36 35.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.623 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' A' ' 61' ' ' ILE . 57.7 m -96.68 150.93 37.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.955 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.9 Cg_exo -65.81 -26.93 52.06 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.604 2.203 . . . . 0.0 112.074 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.6 -29.74 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.37 101.78 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.15 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -89.41 48.41 1.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.766 0.793 . . . . 0.0 110.549 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.465 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -103.87 176.98 1.55 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.049 172.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 34.7 Cg_exo -64.57 9.94 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.483 2.122 . . . . 0.0 113.438 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' SG ' ' A' ' 54' ' ' CYS . 51.8 mt 54.04 -102.97 0.16 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.368 0.667 . . . . 0.0 111.258 177.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 52.6 tt0 -147.61 107.14 3.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.97 121.79 22.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.74 0.781 . . . . 0.0 111.751 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 mt -114.56 145.35 42.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.683 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -134.52 133.5 40.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 0.0 110.846 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 115.62 17.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.822 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.2 m 62.65 -87.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.746 0.654 . . . . 0.0 110.722 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.58 4.11 5.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.03 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.26 145.99 29.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 m -121.17 143.26 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.37 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.52 132.0 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 89.4 m-85 -97.2 102.93 14.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 9.4 t80 -140.99 119.15 12.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.961 -167.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 41' ' ' LEU . 87.4 m -66.96 130.05 41.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 110.257 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -114.22 -77.33 0.57 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.09 113.71 26.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.18 -43.63 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.779 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.0 t-160 -122.71 -67.2 0.97 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.231 0.539 . . . . 0.0 109.719 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.97 177.13 14.72 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.2 pp -72.68 139.0 47.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.408 0.623 . . . . 0.0 111.12 -175.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG13 ' SG ' ' A' ' 34' ' ' CYS . 30.9 mm -115.96 132.22 66.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.427 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -55.17 113.5 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -75.12 8.32 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -98.92 4.8 47.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -122.03 -0.42 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.977 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.86 155.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.184 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -98.76 100.04 11.2 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.88 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -77.62 108.75 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.12 150.29 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.054 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.94 107.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.9 t -140.0 -179.41 5.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -105.17 -175.09 2.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -87.69 -53.18 4.91 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.5 mt -145.08 146.61 31.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.282 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -81.75 113.84 19.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.39 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -132.22 -60.13 0.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.764 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 17.4 m80 52.07 -99.56 0.08 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.916 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 55.8 t60 175.99 134.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -53.86 -63.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.515 0.509 . . . . 0.0 111.502 -173.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -125.89 -84.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.833 177.324 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' NZ ' ' A' ' 64' ' ' LYS . 69.8 mtm . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.27 121.36 32.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.0 mp -79.75 110.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -101.68 136.71 41.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.344 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' HD21 ' A' ' 12' ' ' LEU . 47.8 t -64.67 128.67 93.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.261 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.76 -23.29 35.89 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.366 2.044 . . . . 0.0 112.073 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.66 -60.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.12 -16.48 49.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.766 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 55.62 45.21 25.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.046 0.927 . . . . 0.0 109.738 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -132.27 146.12 51.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.888 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 135.9 56.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 111.484 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 5' ' ' CYS . 62.7 mt -82.77 154.95 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 109.54 20.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -89.9 111.25 22.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.087 0.47 . . . . 0.0 110.556 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -94.81 -10.38 31.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.472 0.654 . . . . 0.0 109.697 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 103.0 116.43 4.2 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 25.4 t70 73.19 -35.48 0.32 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.115 0.566 . . . . 0.0 111.236 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 16' ' ' GLY . 4.4 m -117.12 133.55 55.86 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.828 0.347 . . . . 0.0 110.567 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.88 115.99 30.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.027 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -110.61 125.71 53.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.015 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.87 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 52.3 t -79.57 129.73 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.855 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.9 -27.68 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -107.94 16.77 23.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.959 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 95.6 m -137.48 173.11 12.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.225 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.86 24.32 12.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.557 0.694 . . . . 0.0 109.163 173.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -101.06 142.98 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.067 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -118.25 121.26 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.301 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -104.15 133.92 48.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.5 m -81.0 121.76 26.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.494 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.0 mt -100.5 113.22 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.0 110.595 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.97 139.22 47.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.617 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -91.52 112.99 25.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 -177.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -110.94 162.84 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 41' ' ' LEU . 24.9 p -123.81 156.14 65.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.685 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.23 146.7 9.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.62 2.88 . . . . 0.0 112.346 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.59 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.409 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.4 p -82.41 78.1 9.1 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.452 0.644 . . . . 0.0 110.859 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' CYS . 86.0 mtt-85 -79.56 6.15 11.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.408 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.929 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 37.2 mt-30 -112.25 -57.44 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.929 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -61.77 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 121.964 1.776 . . . . 0.0 112.178 170.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.688 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 2.6 mp -148.52 152.71 37.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.546 167.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.1 mt-30 -91.38 113.44 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.6 t -78.66 88.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.34 0.591 . . . . 0.0 109.869 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.059 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -90.34 95.96 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.13 158.86 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.151 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -67.64 109.75 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.89 61.5 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.692 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.28 99.15 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.098 0.475 . . . . 0.0 111.341 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.03 116.43 46.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.46 126.43 38.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.919 0.39 . . . . 0.0 111.865 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 58.2 m-85 -86.9 101.13 13.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 165.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 30.9 t80 -146.12 118.84 8.61 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.719 -167.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 90.3 m -77.21 131.02 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.267 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -119.81 -39.19 2.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -109.01 150.62 27.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.705 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.19 -81.19 1.76 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.274 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -79.73 -69.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.379 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.84 168.01 11.42 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 pp -73.85 134.75 43.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.28 0.562 . . . . 0.0 110.865 -177.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.46 126.75 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.251 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -55.05 131.26 44.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.6 ttmt -60.51 -24.03 65.0 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' NZ ' ' SD ' ' A' ' 1' ' ' MET . 48.5 tttm -71.63 -11.04 60.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.207 0.527 . . . . 0.0 110.584 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 3.9 mmp_? -119.4 0.59 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.328 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' CG1' ' HB1' ' A' ' 32' ' ' ALA . 67.9 t -78.58 131.2 34.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -85.86 91.78 8.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.735 0.303 . . . . 0.0 111.382 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.6 97.14 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.22 166.67 19.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.993 0.425 . . . . 0.0 111.248 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 29' ' ' SER . 53.0 mt -77.63 104.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 p -81.44 25.16 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.797 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.19 -166.23 1.1 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 15.2 mm-40 66.64 -162.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.958 0.503 . . . . 0.0 110.579 -177.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 mt -131.48 133.08 44.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.404 0.621 . . . . 0.0 112.618 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.817 ' HG3' ' H ' ' A' ' 77' ' ' HIS . 4.1 tp10 -77.02 -36.77 55.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.24 166.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 67.48 5.81 4.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.35 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.817 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 83.2 t60 59.1 76.83 0.34 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 110.538 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -95.91 57.33 1.8 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.772 . . . . 0.0 110.727 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -110.69 138.41 47.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.77 -88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -167.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 p80 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 123.998 0.919 . . . . 0.0 109.251 172.374 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 72.72 156.62 0.17 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.126 0.891 . . . . 0.0 111.36 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 12' ' ' LEU . 11.6 pt -71.36 128.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.581 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -124.74 144.99 49.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 12' ' ' LEU . 45.6 t -78.75 131.62 67.03 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.19 23.43 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.136 2.557 . . . . 0.0 112.868 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.0 t -135.14 -57.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.0 115.31 30.05 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.436 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -69.0 81.36 0.31 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.556 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -145.56 157.35 44.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.438 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HB2' HG13 ' A' ' 3' ' ' ILE . 39.5 mt -91.5 167.01 12.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.13 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.68 150.85 40.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.18 132.32 36.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.315 -176.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -116.9 33.93 5.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.137 0.494 . . . . 0.0 110.131 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 -100.63 2.69 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.136 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.19 3.36 53.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 111.085 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -147.35 154.52 41.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.337 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.0 145.08 39.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -105.43 135.05 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.123 0.487 . . . . 0.0 111.143 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HA ' HD22 ' A' ' 12' ' ' LEU . 9.0 t -108.23 123.43 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.671 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.74 -77.69 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.284 . . . . 0.0 110.238 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 130.62 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p 50.86 91.15 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.584 0.707 . . . . 0.0 109.84 -164.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 117.74 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.467 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -151.42 156.16 40.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.055 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -130.38 114.76 15.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.109 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 70' ' ' ILE . 75.4 m-85 -98.49 134.87 40.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.746 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -72.18 124.6 25.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 68' ' ' PHE . 4.8 mp -101.43 145.79 28.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.493 0.663 . . . . 0.0 111.623 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 52.3 tt0 -124.76 128.79 49.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.27 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -81.15 123.12 28.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 0.0 111.217 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HG3' ' A' ' 38' ' ' ARG . 12.2 tp -131.71 154.08 49.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 p -115.66 126.26 27.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.897 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.48 -12.07 33.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.718 2.945 . . . . 0.0 112.586 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.61 -32.09 69.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.588 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 39' ' ' GLN . 28.4 p -143.2 -38.56 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.225 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HG3' HD21 ' A' ' 33' ' ' LEU . 51.5 ttp180 66.64 14.96 9.98 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.243 1.021 . . . . 0.0 109.05 -173.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 1.1 mp0 -86.57 107.73 14.99 Favored Pre-proline 0 C--O 1.254 1.325 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.961 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -20.1 103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.254 1 C-N-CA 125.895 4.397 . . . . 0.0 113.17 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.917 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 8.2 mp -51.67 -86.14 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 -168.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.625 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.8 tp60 168.97 107.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 2.6 p -73.43 110.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.771 0.796 . . . . 0.0 110.128 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 23.0 mt -105.67 115.71 30.71 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.336 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -107.89 142.63 37.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.929 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.86 -91.07 0.55 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -147.02 94.63 2.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 -44.42 2.85 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.365 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.64 31.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 110.722 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.36 119.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.722 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.5 m-20 -110.15 158.21 18.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.925 0.393 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 43.1 m-85 -132.37 110.23 10.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 2.2 t80 -153.3 118.67 5.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -172.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.917 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 76.8 m -67.48 88.53 0.21 Allowed 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -77.14 -32.4 56.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -129.21 168.62 15.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.625 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.99 -63.67 3.81 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.152 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 6.7 t60 -93.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.75 152.3 6.73 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -55.69 119.2 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.1 mp -81.11 150.16 4.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.594 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -55.6 117.89 4.02 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 172.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -55.75 -32.38 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.265 -171.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -91.67 10.85 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -116.37 -1.2 12.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -72.71 120.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.621 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.13 98.77 8.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HB3' HD23 ' A' ' 30' ' ' LEU . 90.2 m-85 -78.24 97.35 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 172.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -102.46 161.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.828 -176.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 28' ' ' PHE . 74.6 mt -69.65 116.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.187 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 11.8 t -72.34 103.51 3.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.292 0.567 . . . . 0.0 110.034 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -143.87 144.5 31.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.982 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -113.23 4.15 16.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 tp -134.03 97.64 3.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -98.55 129.01 45.09 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 163.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -74.3 -52.5 12.07 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -177.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -168.54 141.54 2.97 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -77.74 25.2 0.2 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -167.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -86.36 70.92 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.714 0.769 . . . . 0.0 109.13 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -129.73 15.64 5.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.367 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.67 -179.322 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' HG2' HG23 ' A' ' 4' ' ' THR . 53.3 tt0 -132.22 -72.77 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.441 -176.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.45 HG22 HD12 ' A' ' 12' ' ' LEU . 55.8 mt 67.19 -74.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.647 0.592 . . . . 0.0 111.244 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 11' ' ' ALA . 41.2 p 63.08 137.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.914 1.286 . . . . 0.0 113.329 177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.617 ' SG ' HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -87.81 142.49 32.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.689 176.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.21 -35.49 91.16 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.236 2.624 . . . . 0.0 112.143 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.441 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 27.5 m -112.48 160.69 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 7' ' ' VAL . 16.7 p 41.4 49.47 3.46 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 123.394 0.434 . . . . 0.0 109.938 -174.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 20.2 t-80 -48.58 -95.29 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.875 1.359 . . . . 0.0 113.805 -172.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 41.32 -88.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.19 0.996 . . . . 0.0 112.265 -167.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -155.87 167.56 30.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD21 ' SG ' ' A' ' 5' ' ' CYS . 34.7 mt -128.17 146.33 50.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.66 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -108.36 144.07 36.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.202 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -82.81 100.99 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.901 0.381 . . . . 0.0 110.362 175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 66.7 t30 -88.5 55.59 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.27 -106.63 1.98 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.774 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.79 -15.3 48.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -108.38 161.78 14.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.273 -173.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.93 110.72 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 15' ' ' ASN . 84.5 t60 -96.84 136.86 36.8 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.374 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.742 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 11.0 m -78.85 131.07 36.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.99 0.424 . . . . 0.0 110.193 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.68 -58.51 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.657 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -98.57 18.02 17.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.262 1.03 . . . . 0.0 109.138 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.742 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -142.18 140.25 32.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.102 -173.048 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.94 78.99 9.79 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.7 tppt? -151.34 149.37 29.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.579 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.08 127.51 34.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.4 m-85 -108.07 148.43 29.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.916 0.388 . . . . 0.0 111.319 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -88.37 135.0 33.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 19' ' ' ALA . 86.0 mt -105.9 131.3 53.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -111.66 109.6 19.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.661 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HD2' ' A' ' 52' ' ' TYR . . . -81.07 97.53 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 38' ' ' ARG . 13.1 tp -106.37 162.79 13.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.097 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 41' ' ' LEU . 2.6 p -96.24 115.29 65.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.257 0.551 . . . . 0.0 109.574 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 67' ' ' ASN . 82.4 Cg_endo -78.16 10.97 2.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.441 2.761 . . . . 0.0 113.767 -171.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -123.47 -61.99 1.35 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.055 0.455 . . . . 0.0 109.841 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -94.53 49.28 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.092 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HG3' HD21 ' A' ' 33' ' ' LEU . 10.7 ttp180 -51.97 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.852 0.834 . . . . 0.0 112.779 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.603 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 52.6 mt-30 -150.19 158.16 36.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.27 117.0 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.354 2.036 . . . . 0.0 112.351 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 39' ' ' GLN . 6.9 mp -78.4 -177.73 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -97.01 138.4 34.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 110.146 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.01 94.24 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.827 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.6 mt -85.62 107.35 17.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 110.429 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.51 98.98 10.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.556 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 96.51 9.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.689 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m 62.79 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.73 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.93 5.27 5.07 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.99 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.53 125.23 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -100.15 118.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.305 -177.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.8 123.11 48.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.735 172.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HD2' ' O ' ' A' ' 32' ' ' ALA . 2.2 t80 -86.25 101.35 12.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HB3' HD12 ' A' ' 44' ' ' LEU . 27.9 t80 -140.8 141.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.745 -167.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 25.8 m -70.09 124.61 24.51 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 174.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -156.55 146.84 21.36 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.282 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 50.36 54.23 11.51 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.061 0.851 . . . . 0.0 111.707 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.25 -58.71 0.62 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.298 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.603 ' HE1' ' O ' ' A' ' 39' ' ' GLN . 2.6 t60 -66.57 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.498 ' N ' ' HB3' ' A' ' 54' ' ' CYS . . . 154.25 -108.92 0.39 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.461 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' HB2' ' A' ' 54' ' ' CYS . 4.0 pp 174.63 150.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.801 0.841 . . . . 0.0 108.741 173.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -128.64 147.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.351 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 t -62.66 130.46 45.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HA ' HG23 ' A' ' 66' ' ' VAL . 33.2 mtpt -72.36 8.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 0.0 110.989 -174.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -93.75 -17.88 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.628 174.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 65' ' ' ARG . 5.4 mtm180 -123.55 22.92 9.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.429 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.2 t -73.52 133.92 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' HB3' ' A' ' 35' ' ' PRO . 55.2 t30 -88.09 96.79 10.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.37 . . . . 0.0 110.246 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.57 108.31 15.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.12 130.69 43.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.8 mt -80.93 115.45 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.064 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 m -111.98 113.41 25.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.1 114.81 29.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -78.22 170.26 16.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.057 0.456 . . . . 0.0 111.523 -173.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.76 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.2 pt? -107.61 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.18 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -29.71 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -80.84 91.34 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 111.537 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -156.08 103.84 2.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.783 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 12.8 p80 -179.64 158.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 18.6 t-80 75.27 103.98 0.07 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.872 0.733 . . . . 0.0 112.141 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -129.51 82.88 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.166 -177.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.709 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 10.6 ptt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.709 ' H ' ' HG3' ' A' ' 1' ' ' MET . 35.8 mm-40 59.98 -168.0 0.17 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.984 0.513 . . . . 0.0 110.755 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.59 125.37 58.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 2.7 p -134.86 161.08 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -67.47 118.0 52.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.021 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 -26.2 41.18 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.406 2.071 . . . . 0.0 112.587 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.45 -36.35 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.961 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -97.38 -12.25 22.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.376 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 5.9 m170 60.5 -178.65 0.1 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.35 -171.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 56.5 m80 74.03 163.9 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.827 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 4' ' ' THR . . . -79.93 167.73 20.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.352 0.596 . . . . 0.0 112.31 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -116.17 157.29 25.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.259 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -105.82 131.55 53.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -81.53 100.88 9.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -71.15 -29.5 65.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.212 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.17 -75.2 0.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.4 -9.43 29.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.587 0.708 . . . . 0.0 109.794 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.58 155.72 48.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.354 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -111.07 124.69 52.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.11 132.43 45.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.122 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.761 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 62.3 m -79.29 138.43 37.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.494 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -77.14 -60.1 2.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.168 0.509 . . . . 0.0 111.228 176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 p -85.27 13.84 5.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.176 -170.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.761 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -161.0 145.35 13.66 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -170.165 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.53 74.01 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.406 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -143.28 127.14 17.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.077 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.57 125.58 53.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.0 m-85 -100.96 131.57 46.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.878 -176.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -76.52 124.97 28.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 19' ' ' ALA . 89.5 mt -100.29 143.49 30.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -133.83 123.67 25.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -75.56 103.87 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 38' ' ' ARG . 12.4 tp -112.3 156.37 22.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.367 -174.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' ' HD2' ' A' ' 35' ' ' PRO . 14.3 t -98.47 142.32 24.4 Favored Pre-proline 0 N--CA 1.45 -0.434 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 60.0 Cg_exo -53.46 -32.41 62.71 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.124 2.55 . . . . 0.0 113.997 -177.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.08 -33.55 9.21 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.789 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.799 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 3.7 p -121.57 134.35 55.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.531 0.681 . . . . 0.0 110.953 -175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HA ' HD11 ' A' ' 33' ' ' LEU . 63.7 mtt85 -115.0 18.35 16.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.534 -172.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 72.6 mt-30 -145.47 -55.41 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.467 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.799 ' HD2' ' HB2' ' A' ' 37' ' ' CYS . 12.1 Cg_exo -72.46 24.87 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.942 2.428 . . . . 0.0 114.808 -171.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.98 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 7.1 mp -84.07 132.53 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.882 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.8 mm-40 -84.08 142.08 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.45 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.6 97.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.125 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 28.5 mt -88.34 117.83 27.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' HG2' HG12 ' A' ' 50' ' ' VAL . 81.0 mttt -99.82 118.27 35.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.153 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.71 83.31 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t 66.88 -75.42 0.06 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.811 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.66 -17.75 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.444 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.18 146.65 25.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.536 HG12 ' HG2' ' A' ' 45' ' ' LYS . 17.3 m -114.55 137.56 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.892 0.377 . . . . 0.0 111.087 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -133.53 123.18 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.164 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.8 m-85 -86.55 116.92 25.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.615 0.721 . . . . 0.0 110.333 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.1 t80 -149.12 99.58 2.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.607 -170.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.98 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 5.6 p -78.68 88.31 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.664 -171.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -77.25 -34.15 55.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.0 109.568 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.32 123.81 50.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.459 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.49 2.92 40.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 7.6 t60 -172.3 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.162 0.506 . . . . 0.0 109.9 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.9 161.38 10.28 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 pp -57.72 131.3 49.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.343 0.592 . . . . 0.0 111.634 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 54' ' ' CYS . 1.5 mp -103.75 157.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.61 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -73.38 119.73 18.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 168.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -73.65 8.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.479 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -93.7 -8.05 41.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.38 -16.54 11.43 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.69 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 63' ' ' LYS . 28.5 m -60.07 144.07 13.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.038 0.447 . . . . 0.0 110.928 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -99.23 101.66 13.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.82 102.53 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.58 148.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 28' ' ' PHE . 70.9 mt -84.59 121.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.027 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -82.9 81.52 8.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -110.89 -21.84 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -89.99 77.32 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.1 tp -106.14 -15.96 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.301 0.572 . . . . 0.0 109.703 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -79.1 143.48 35.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.763 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.1 t60 59.41 65.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.79 130.59 44.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.436 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -58.27 111.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.237 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -162.26 162.07 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -92.85 -42.04 9.74 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.312 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.9 t60 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.484 179.157 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.071 0.462 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -108.27 34.42 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 12' ' ' LEU . 29.5 mm 67.31 90.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.278 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -124.77 134.62 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.726 -173.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 41.9 t -76.54 140.03 67.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.457 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 14.2 Cg_endo -56.81 -22.61 46.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.434 2.756 . . . . 0.0 113.344 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.83 2.97 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.074 0.464 . . . . 0.0 110.571 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 60.3 m -138.28 68.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.656 0.741 . . . . 0.0 109.764 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -76.63 100.19 5.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.777 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -167.41 -52.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.989 168.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.13 156.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.213 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 5' ' ' CYS . 41.9 mt -115.89 175.41 5.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -94.5 114.27 26.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' THR . 35.5 ttp180 -78.58 93.53 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.636 0.731 . . . . 0.0 109.607 176.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -107.94 105.05 14.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.729 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 37.49 75.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.607 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 64.8 13.4 8.44 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.604 0.716 . . . . 0.0 110.647 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 m -111.14 168.05 9.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -110.74 102.57 11.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.199 0.523 . . . . 0.0 111.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -97.07 123.62 40.86 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 52.5 t -78.85 125.75 29.79 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.921 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -59.6 -47.02 87.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.269 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -89.59 -37.05 14.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.84 -17.84 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.112 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.74 17.59 9.95 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.497 0.498 . . . . 0.0 111.456 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -94.03 148.63 21.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.49 113.13 26.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 69.9 m-85 -102.68 121.47 42.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.501 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.9 t -82.67 147.65 28.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.166 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 mm? -99.68 112.53 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.8 134.91 53.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.906 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.78 101.22 8.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.0 mm? -98.91 143.72 28.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.147 0.499 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.54 118.7 56.94 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.03 -42.93 37.62 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 114.069 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.43 -20.43 60.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.645 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 p -147.53 91.06 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 111.114 -173.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -78.5 82.37 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.72 0.771 . . . . 0.0 109.787 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -151.86 175.03 3.12 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.937 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 95.44 0.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.336 1.357 . . . . 0.0 110.648 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp -43.95 -53.39 6.22 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.809 0.693 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 15.8 tp60 169.98 110.5 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.7 t -78.52 95.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.473 0.654 . . . . 0.0 111.445 -169.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 25.0 mt -95.22 116.62 28.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.953 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -105.05 135.59 46.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.497 -172.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.89 -154.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.809 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.95 -58.71 3.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.797 0.332 . . . . 0.0 110.613 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.87 43.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.447 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.28 135.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.85 129.29 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.78 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -118.89 142.61 47.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.985 -174.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 51.9 m-85 -111.2 103.58 12.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.264 0.554 . . . . 0.0 109.544 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 66.1 t80 -132.86 121.89 23.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.772 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.886 ' HB3' ' H ' ' A' ' 59' ' ' GLY . 43.1 m -67.17 116.12 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -173.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.49 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.759 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -102.78 -27.73 12.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.835 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -11.02 84.29 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.68 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 9.4 t-160 -174.88 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.387 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.886 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 158.03 157.93 8.71 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -57.03 138.63 54.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 111.876 -174.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mm -120.91 139.18 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -52.68 115.0 1.58 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG23 ' A' ' 66' ' ' VAL . 58.4 tttt -64.76 -22.98 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -167.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -75.26 -17.36 60.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.901 0.382 . . . . 0.0 110.445 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -106.94 -0.12 23.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.399 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.4 t -78.53 139.83 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.672 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -78.99 87.08 4.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.357 . . . . 0.0 111.613 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HZ ' ' HE3' ' A' ' 63' ' ' LYS . 48.1 m-85 -77.0 97.36 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -118.96 158.18 20.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.96 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.4 pt -81.01 70.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.92 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 p 54.45 -167.22 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.647 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -142.22 178.17 7.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.73 -69.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HG ' ' H ' ' A' ' 75' ' ' GLU . 14.4 tp 50.38 -149.77 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.89 0.744 . . . . 0.0 110.734 174.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.8 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 5.6 mp0 -93.93 139.36 31.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -86.04 17.67 3.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.137 0.494 . . . . 0.0 110.78 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -92.33 111.95 23.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.685 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -66.26 129.34 39.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.394 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -83.07 75.69 9.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.407 0.622 . . . . 0.0 109.808 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -149.57 132.39 16.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.96 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.348 -0.835 . . . . 0.0 109.876 177.789 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -111.46 131.36 55.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.5 pt -82.16 113.85 22.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -115.03 132.17 56.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.086 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.655 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.3 p -70.02 135.78 87.31 Favored Pre-proline 0 N--CA 1.456 -0.152 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -74.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.711 2.274 . . . . 0.0 113.619 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.43 -26.82 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.936 -172.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.811 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -105.34 5.86 32.22 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -175.569 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 2.0 t-80 27.89 89.86 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.22 1.808 . . . . 0.0 115.119 170.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.46 175.69 0.23 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.395 0.678 . . . . 0.0 109.198 167.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.94 137.98 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 5' ' ' CYS . 89.0 mt -94.18 156.72 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.525 172.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.46 131.83 53.76 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -83.33 87.44 6.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.78 106.24 15.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.83 -101.38 0.64 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -169.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -132.73 19.28 4.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.805 174.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -108.72 153.93 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.69 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.77 101.16 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 27' ' ' ASP . 75.8 t60 -99.06 137.17 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.145 -178.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.597 ' HA ' HD23 ' A' ' 12' ' ' LEU . 63.8 m -79.33 130.98 35.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.112 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.82 -35.42 78.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -97.42 11.1 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.9 145.58 29.87 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.136 -169.358 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.84 48.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.386 0.613 . . . . 0.0 109.859 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -129.68 140.11 51.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.415 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -146.39 137.23 24.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.072 0.463 . . . . 0.0 109.982 170.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.89 157.89 20.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.11 -172.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 p -83.44 130.75 35.04 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.38 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 19' ' ' ALA . 66.2 mt -100.1 140.45 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.207 0.527 . . . . 0.0 110.969 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -131.88 115.1 15.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.577 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.27 89.1 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -89.46 155.44 19.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 41' ' ' LEU . 25.7 p -96.6 129.29 33.42 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.4 Cg_exo -65.71 -28.35 52.04 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 123.763 2.975 . . . . 0.0 112.894 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.54 -64.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.352 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -69.46 -45.51 68.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.57 -179.053 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 53.2 mtp180 57.92 -166.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.441 -173.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.509 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mm-40 75.39 161.95 0.15 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.289 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 9.3 Cg_endo -53.13 112.24 0.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 121.912 1.741 . . . . 0.0 111.722 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 34' ' ' CYS . 24.2 mt -71.42 -166.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.852 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -94.43 114.22 26.21 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.26 97.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.227 0.536 . . . . 0.0 110.418 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.06 146.92 31.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.87 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -104.71 126.96 52.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.99 13.97 33.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.085 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.43 82.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.337 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.1 -42.59 1.85 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.44 166.09 15.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.03 163.31 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.626 0.25 . . . . 0.0 110.517 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.85 149.47 33.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.105 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 38.6 m-85 -108.13 112.13 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -144.35 133.7 23.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 110.203 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.743 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 79.2 m -76.81 122.63 25.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -107.46 -56.74 2.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -127.45 156.57 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.263 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.34 0.38 57.34 Favored Glycine 0 C--O 1.236 0.258 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.128 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.743 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 77.6 m-70 -140.54 -87.56 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.259 0.552 . . . . 0.0 110.442 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 143.54 120.56 1.49 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.1 pp -56.68 136.26 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 111.45 -173.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.789 HD13 HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.99 124.42 72.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.307 -176.652 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 m -57.0 153.73 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 63' ' ' LYS . 70.4 mmtt -64.03 -19.75 65.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -169.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -85.64 -17.95 34.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.094 0.473 . . . . 0.0 110.716 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 61' ' ' ILE . 15.5 mmt85 -90.25 -5.34 56.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.129 175.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.789 HG22 HD13 ' A' ' 61' ' ' ILE . 46.1 t -91.3 132.92 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.505 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -107.67 103.75 13.12 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 39.3 m-85 -73.41 98.44 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.147 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.97 176.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.231 0.538 . . . . 0.0 110.944 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.0 mt -102.67 75.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.672 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 t 59.06 -160.96 0.27 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.982 -176.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.48 -39.89 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 171.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -152.63 136.18 16.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.082 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.0 tp -114.76 89.55 3.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.207 0.527 . . . . 0.0 110.296 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -18.68 12.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.767 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 69.18 108.56 0.05 Allowed 'General case' 0 C--O 1.232 0.183 0 O-C-N 124.026 0.829 . . . . 0.0 109.513 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -68.81 162.07 27.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.057 -172.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -62.55 107.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.197 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -157.58 19.5 0.27 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.074 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.6 m170 69.63 -76.95 0.06 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.67 -173.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.945 177.566 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 178.71 149.1 0.22 Allowed 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 12' ' ' LEU . 19.8 pt -97.96 124.58 51.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.475 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 28.0 m -147.28 144.03 28.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -175.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 17.2 t -63.83 129.49 93.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.33 2.94 2.4 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.035 2.49 . . . . 0.0 113.836 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.91 1.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 109.839 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.783 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 57.7 m -132.37 81.37 1.95 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.86 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.5 88.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.827 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -149.51 -87.42 0.08 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.767 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 175.23 172.87 0.26 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.459 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HG ' ' HA ' ' A' ' 4' ' ' THR . 82.7 mt -119.68 129.4 54.53 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -73.11 111.75 8.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -85.56 111.67 20.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.407 0.622 . . . . 0.0 110.408 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.87 7.92 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.094 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.41 -50.35 3.28 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.525 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.55 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 11.7 t70 -94.78 -43.21 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 0.0 110.678 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.415 HG21 ' HB3' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -126.05 164.58 20.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.522 -176.749 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -113.58 136.52 52.73 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 56.2 t60 -120.27 139.85 52.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.526 0.203 . . . . 0.0 111.045 -175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 t -100.41 135.03 42.48 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.76 -18.5 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -85.33 -48.22 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 0.0 110.421 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.74 139.87 52.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.57 34.11 0.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.783 -172.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -94.16 128.45 40.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 18' ' ' THR . 28.4 m-20 -100.07 132.4 45.46 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HB3' HG23 ' A' ' 70' ' ' ILE . 96.3 m-85 -98.52 116.22 30.28 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -176.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -66.37 119.88 12.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 19' ' ' ALA . 96.5 mt -99.97 124.66 45.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.83 0.348 . . . . 0.0 110.263 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -111.73 120.59 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 110.393 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -78.02 94.81 4.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.949 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 38' ' ' ARG . 14.3 tp -94.18 148.23 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.37 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 61' ' ' ILE . 42.0 t -96.48 116.49 66.16 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 37' ' ' CYS . 31.8 Cg_exo -59.54 140.38 93.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.496 2.797 . . . . 0.0 111.75 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 26.6 t70 75.12 -31.64 0.21 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.752 0.658 . . . . 0.0 110.833 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' H ' ' C ' ' A' ' 35' ' ' PRO . 28.9 t -78.72 -80.39 0.12 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.537 177.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 55.6 ttp180 53.38 22.21 2.71 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.586 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.808 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.4 mt-30 -79.87 176.59 3.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 19.1 Cg_endo -61.77 83.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 4.8 mp -62.32 126.98 29.22 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.467 ' OE1' ' HA ' ' A' ' 54' ' ' CYS . 25.4 mp0 -64.11 124.7 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -76.28 92.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.91 103.97 3.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.63 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -97.56 123.09 41.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.148 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.65 171.37 8.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.472 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 p -76.89 94.1 3.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.023 0.44 . . . . 0.0 110.63 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.17 -39.95 1.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.611 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 17' ' ' ASP . . . -159.16 168.78 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.675 0.238 . . . . 0.0 110.995 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.47 169.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.674 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -149.7 131.45 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 48.4 m-85 -93.07 116.42 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.066 0.46 . . . . 0.0 110.019 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' HE2' HD22 ' A' ' 60' ' ' LEU . 12.1 t80 -158.42 113.63 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -173.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.8 p -80.26 88.65 5.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.402 0.62 . . . . 0.0 110.868 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.562 ' HA ' HD23 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -74.69 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.637 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.68 -57.89 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -73.61 137.88 24.15 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.535 176.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 37' ' ' CYS . 47.2 t60 66.43 -76.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.399 0.68 . . . . 0.0 111.497 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 155.56 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.824 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 ' HE2' ' A' ' 53' ' ' PHE . 16.9 mt -48.95 155.65 0.59 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.323 -174.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -127.75 132.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.391 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -58.68 127.14 30.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 68.5 mttm -62.38 -15.25 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 111.365 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -78.47 -11.17 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 21.3 mmt180 -118.21 0.85 11.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 32' ' ' ALA . 50.7 t -71.19 132.57 33.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -98.09 96.51 8.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.145 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -75.97 107.25 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.022 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.67 147.56 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.309 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' A' ' 28' ' ' PHE . 60.9 mt -83.52 112.22 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.633 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -100.65 130.99 46.77 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.17 0.509 . . . . 0.0 111.283 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 73' ' ' GLN . 14.2 t70 -109.39 -151.13 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' A' ' 72' ' ' ASP . 28.5 mm-40 61.67 40.89 12.74 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.592 0.234 . . . . 0.0 111.344 174.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 9.9 mp -56.43 148.02 20.19 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 53.0 mm-40 71.86 84.91 0.13 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.983 0.802 . . . . 0.0 110.42 -171.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -86.62 -160.91 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -81.13 141.52 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.285 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.24 137.41 53.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.115 0.483 . . . . 0.0 111.084 -177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.15 137.06 15.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.425 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.63 -66.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t60 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.155 178.216 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.48 97.17 8.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.054 0.455 . . . . 0.0 110.414 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 30' ' ' LEU . 25.9 mt -71.27 -54.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.899 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.4 p 60.68 159.68 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.21 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 37.2 t -101.38 135.61 19.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.914 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.93 -34.89 87.92 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.799 2.333 . . . . 0.0 112.838 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.04 23.54 5.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 95.6 m -148.99 -17.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t60 57.0 -97.95 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -166.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 53.97 -162.29 0.12 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.425 0.453 . . . . 0.0 110.612 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.1 145.88 47.74 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 168.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 40.1 mt -102.7 121.91 43.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.837 0.351 . . . . 0.0 110.085 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.94 115.1 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.388 0.613 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 74.7 ttt180 -81.72 125.2 30.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.652 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.03 -5.09 51.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.164 0.507 . . . . 0.0 110.173 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 136.29 -75.99 0.39 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.541 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.94 -38.95 16.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.558 0.694 . . . . 0.0 109.3 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -118.88 152.65 35.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.308 -176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -111.33 127.41 55.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.087 173.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -99.38 119.82 38.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.422 -172.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.49 124.6 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.49 -38.51 40.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -59.91 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 p -103.77 8.9 37.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.524 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.14 77.37 0.22 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.12 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.66 126.41 30.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -178.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.72 108.41 19.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 110.121 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.92 112.81 25.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -74.91 135.4 41.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 3' ' ' ILE . 6.3 mp -102.08 156.96 17.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.216 0.531 . . . . 0.0 110.821 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 2.7 tp60 -131.75 158.2 41.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.463 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -96.35 113.59 25.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.569 0.223 . . . . 0.0 110.578 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD23 ' HG3' ' A' ' 38' ' ' ARG . 10.4 mp -118.09 153.28 34.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.82 146.35 31.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.148 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.65 -27.38 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.378 2.052 . . . . 0.0 111.721 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -83.96 -31.06 25.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.484 -178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 120.23 9.3 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.841 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG3' HD23 ' A' ' 33' ' ' LEU . 80.0 ttt180 -79.26 84.7 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 172.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 51.1 mt-30 -129.78 174.28 4.77 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.441 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 59.6 Cg_endo -76.13 14.32 1.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.61 1.54 . . . . 0.0 110.252 164.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp 59.03 -89.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.786 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.64 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.2 tp60 -159.82 110.52 1.93 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 t -70.01 111.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.31 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 53' ' ' PHE . 52.4 mt -104.72 98.07 7.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.371 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HA ' HG12 ' A' ' 50' ' ' VAL . 25.7 mtpp -89.29 92.59 9.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.36 170.91 8.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.033 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 t -85.31 93.7 8.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.87 -26.76 4.45 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.196 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.77 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 45' ' ' LYS . 8.4 m -120.34 113.56 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.221 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.79 150.53 28.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.159 0.504 . . . . 0.0 111.051 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 85.8 m-85 -108.86 113.89 27.2 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 6.5 t80 -153.46 110.23 3.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.931 -167.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 72.1 m -70.76 88.82 0.73 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -67.26 -69.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.753 0.311 . . . . 0.0 111.448 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -104.41 -29.14 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.946 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 58' ' ' HIS . . . -81.68 35.22 2.49 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.141 -0.552 . . . . 0.0 113.22 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.2 t-80 169.9 -66.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.3 133.15 2.79 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -61.07 96.86 0.05 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 111.102 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mm -76.62 131.9 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.398 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -57.42 127.37 31.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HD2' ' HZ ' ' A' ' 68' ' ' PHE . 50.0 mtmt -64.2 -15.88 60.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -175.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.38 -31.25 67.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.728 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -107.78 0.29 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 75.6 t -78.94 141.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.11 92.22 7.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HZ ' ' HD2' ' A' ' 63' ' ' LYS . 94.3 m-85 -80.93 97.32 7.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -130.48 164.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.963 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.09 128.26 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -86.86 91.49 8.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -86.09 113.88 22.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.171 0.51 . . . . 0.0 109.669 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -167.94 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.423 0.63 . . . . 0.0 110.101 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 tp -109.92 118.31 36.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.855 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -129.87 -53.76 1.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.019 0.438 . . . . 0.0 109.984 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.88 149.68 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.608 -178.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -77.54 121.44 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.118 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.54 148.01 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -61.11 -71.88 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 110.509 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -135.84 -84.95 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.362 174.323 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.77 114.01 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.23 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -138.21 154.64 49.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.926 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 37.1 t -65.82 137.08 95.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.803 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 22.6 Cg_exo -66.17 -3.82 9.29 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.973 2.448 . . . . 0.0 112.149 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -110.11 -61.24 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.02 95.19 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.453 0.644 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -70.02 84.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -116.89 -83.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.13 124.74 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.96 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.1 130.59 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.34 134.19 38.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 0.0 110.589 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 16' ' ' GLY . 13.5 tpt180 -99.07 128.14 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.225 -177.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -108.1 -0.03 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.905 0.859 . . . . 0.0 109.488 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 98.6 135.23 8.75 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 6.3 t70 69.05 -60.05 0.46 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.966 0.383 . . . . 0.0 111.04 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 27' ' ' ASP . 59.0 m -120.69 145.05 47.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 0.0 111.279 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.16 133.29 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.5 130.85 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 111.11 -174.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 42.7 t -89.86 117.91 29.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.339 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -51.26 -96.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.893 0.877 . . . . 0.0 112.196 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 44.0 p -62.65 142.86 57.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' THR . 73.0 m 102.4 -30.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.63 1.831 . . . . 0.0 110.059 -173.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.84 31.75 20.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.324 0.583 . . . . 0.0 111.119 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -101.51 143.11 31.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.364 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HB3' HG21 ' A' ' 18' ' ' THR . 12.5 m-20 -111.06 125.04 53.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.539 ' HE2' ' HB2' ' A' ' 21' ' ' CYS . 97.6 m-85 -102.32 105.92 16.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.46 125.59 31.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.614 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.1 mp -104.26 137.46 42.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.024 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -111.14 142.31 43.49 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -85.85 107.93 17.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.545 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.487 HD23 ' HG3' ' A' ' 38' ' ' ARG . 9.4 mp -112.63 158.46 19.97 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.934 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.93 151.57 37.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.13 -18.99 26.73 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.533 2.155 . . . . 0.0 112.177 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.06 -43.29 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.139 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.25 97.99 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.35 0.595 . . . . 0.0 110.092 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HG3' HD23 ' A' ' 33' ' ' LEU . 10.3 ttm180 -83.76 82.49 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.356 0.598 . . . . 0.0 110.654 -175.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' LEU . 27.5 mt-30 -144.07 175.32 2.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.856 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.487 ' O ' ' HB3' ' A' ' 52' ' ' TYR . 23.7 Cg_exo -66.71 5.38 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.222 1.948 . . . . 0.0 111.544 168.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 50.8 mt 63.71 -84.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.845 0.858 . . . . 0.0 111.467 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -162.01 128.7 3.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' HG3' ' A' ' 45' ' ' LYS . 51.0 t -83.38 102.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.199 0.523 . . . . 0.0 111.368 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 53' ' ' PHE . 31.2 mt -94.06 119.46 32.96 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 30.8 mtpp -120.86 137.39 54.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.023 0.44 . . . . 0.0 110.905 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.26 114.48 8.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.4 m 58.6 28.55 17.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.56 -38.76 3.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.305 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -59.69 148.66 33.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.578 0.228 . . . . 0.0 110.645 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.65 139.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.141 0.496 . . . . 0.0 111.504 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -136.88 140.19 42.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.638 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 75.9 m-85 -99.59 109.31 21.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.251 0.548 . . . . 0.0 109.833 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 21.4 t80 -146.04 106.98 4.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.058 -171.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 20.5 p -78.42 91.74 4.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.655 0.264 . . . . 0.0 110.59 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.54 -84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.426 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -92.92 -17.89 23.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 0.0 110.285 -175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.83 -4.99 63.46 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.945 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.0 t-80 -165.81 -62.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.0 138.05 2.84 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.5 pt? -73.88 156.8 37.32 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.08 0.518 . . . . 0.0 111.624 -173.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -128.12 151.43 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.9 t -66.57 133.15 49.73 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 29.0 mtpp -66.44 -7.93 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.171 0.51 . . . . 0.0 110.82 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -78.61 -16.7 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.311 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -121.59 10.29 10.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.212 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.2 t -84.36 139.79 17.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.46 95.31 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.93 100.06 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.981 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 p -105.23 142.41 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.614 HG12 ' HG ' ' A' ' 30' ' ' LEU . 59.5 mt -80.26 97.12 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.307 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 110.965 179.554 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -80.78 102.43 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -77.79 121.75 24.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.265 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.9 t -67.68 125.85 91.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.735 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.92 -24.04 46.48 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.51 -65.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 25.8 p -83.86 -5.81 59.29 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.482 -175.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 53.76 50.72 16.4 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.252 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -139.24 159.88 41.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.809 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.52 124.41 23.51 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.557 0.535 . . . . 0.0 110.249 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 5' ' ' CYS . 82.3 mt -72.35 153.07 41.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.997 0.427 . . . . 0.0 110.593 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.09 105.38 16.09 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.476 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 8.0 ppt_? -84.93 137.01 33.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.356 0.598 . . . . 0.0 111.612 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -97.81 -27.99 14.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.443 -0.798 . . . . 0.0 108.922 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.93 -80.02 0.21 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.851 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -82.87 -14.52 54.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.357 0.598 . . . . 0.0 110.265 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 m -129.9 143.94 51.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.3 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.2 108.22 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -87.13 121.89 30.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.032 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.08 125.8 29.88 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.796 0.808 . . . . 0.0 110.393 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -5.43 40.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.943 -1.48 . . . . 0.0 112.467 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -56.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.89 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 14.1 m -78.63 -2.0 36.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.141 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.22 21.24 10.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.807 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -103.64 145.26 30.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.734 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -109.61 129.47 55.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 83.2 m-85 -108.91 154.16 22.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.6 m -87.39 128.28 35.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.649 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 19' ' ' ALA . 42.0 mt -113.54 143.4 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.786 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -135.99 131.75 35.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.633 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.38 98.52 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.5 mt -98.62 152.88 19.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.131 0.491 . . . . 0.0 111.069 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 49.2 t -96.74 133.39 24.54 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -45.98 -41.45 20.76 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.89 3.06 . . . . 0.0 113.039 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.602 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 11.1 p-10 -85.99 -99.15 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.665 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 6.5 p -54.42 108.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.352 0.661 . . . . 0.0 111.625 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -105.03 20.44 18.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.48 . . . . 0.0 110.347 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.699 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 23.5 mt-30 -128.45 -62.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.13 -173.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 93.8 Cg_endo -81.1 40.66 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.337 2.025 . . . . 0.0 114.162 -168.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 136.42 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.536 HE22 ' HB3' ' A' ' 55' ' ' GLN . 22.4 mt-30 -71.2 137.6 48.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.131 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.71 89.04 2.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.32 96.91 6.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.351 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -91.07 103.43 16.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.843 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.4 -175.3 3.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m -68.83 -34.63 75.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.4 2.88 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.108 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.16 -173.55 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.642 0.258 . . . . 0.0 110.425 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 m -102.99 101.08 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 109.781 174.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -95.39 122.13 37.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 50.2 m-85 -86.35 96.65 10.06 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.0 t80 -144.66 123.14 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.588 -160.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 61.6 m -72.34 88.66 1.19 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.536 ' HB3' HE22 ' A' ' 42' ' ' GLN . 56.1 tt0 -88.68 -21.79 23.73 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.4 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -134.81 169.91 16.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.387 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.94 -68.66 3.03 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.385 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -95.27 -76.19 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.338 . . . . 0.0 110.239 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.71 144.46 3.92 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -61.42 106.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.544 0.687 . . . . 0.0 111.513 -174.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -85.1 131.69 33.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.147 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -54.26 143.49 22.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.679 0.276 . . . . 0.0 110.533 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 66' ' ' VAL . 89.1 mttt -70.58 -5.36 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.211 0.529 . . . . 0.0 110.731 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -90.31 -17.26 27.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.85 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 12.6 mmm180 -106.34 -21.16 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.948 -177.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 63' ' ' LYS . 29.4 m -65.54 140.14 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -92.81 93.4 8.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.986 0.422 . . . . 0.0 111.24 -174.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -74.52 97.17 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.81 163.55 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.9 mt -85.3 80.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.286 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.389 179.484 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.522 -0.13 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 12' ' ' LEU . 57.5 mt -68.97 -58.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m 69.61 125.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.132 -1.394 . . . . 0.0 113.199 168.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 19.7 t -76.29 119.37 77.01 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 173.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -50.48 -46.95 26.76 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.419 2.746 . . . . 0.0 113.458 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -86.8 15.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.437 . . . . 0.0 111.834 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 71.9 m -127.9 -34.89 2.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.62 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m170 63.83 25.44 14.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.409 0.623 . . . . 0.0 109.891 -173.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.48 160.69 31.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.758 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.08 149.4 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 5' ' ' CYS . 22.9 mt -111.35 113.47 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.191 172.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.19 106.31 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.312 0.577 . . . . 0.0 110.792 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 38.5 ttp-105 -76.95 113.53 14.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.931 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 16.59 26.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 110.144 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.93 -82.81 1.1 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.069 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -29.45 69.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.536 0.684 . . . . 0.0 110.698 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.09 158.88 43.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.723 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.03 114.47 27.79 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -97.26 120.3 37.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.622 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 24' ' ' CYS . 11.9 t -79.28 144.8 33.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 109.952 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -34.59 17.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.989 0.9 . . . . 0.0 109.467 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 19.5 p -94.97 85.1 4.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.94 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 23' ' ' THR . 12.9 p 98.18 124.43 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.29 1.436 . . . . 0.0 108.745 -167.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.52 40.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.871 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -91.39 124.42 35.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.695 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.73 133.98 43.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.371 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' HB3' HG23 ' A' ' 70' ' ' ILE . 95.0 m-85 -110.1 102.87 11.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -57.19 124.54 19.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.58 176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 14' ' ' ARG . 97.2 mt -101.97 128.69 48.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.119 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 85.8 mt-30 -119.39 127.05 52.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.02 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.84 116.86 23.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.94 162.77 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.126 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 88.0 m -99.01 161.36 25.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.773 0.321 . . . . 0.0 110.598 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.59 -35.64 89.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.556 2.171 . . . . 0.0 111.625 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.84 -27.58 14.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.52 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 25.6 m -100.94 101.61 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.664 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.62 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.705 0.764 . . . . 0.0 108.99 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -88.26 142.93 31.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.601 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.38 120.99 7.02 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.675 2.25 . . . . 0.0 111.602 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 11.6 mt -70.21 -173.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.084 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.49 132.86 42.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 50' ' ' VAL . 89.3 t -76.64 104.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.697 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 53' ' ' PHE . 37.9 mt -105.64 153.65 21.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.427 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -108.81 124.2 50.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.045 0.45 . . . . 0.0 111.581 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.44 95.51 4.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.428 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m 64.62 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.273 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.57 6.1 4.52 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 145.31 26.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.534 0.206 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 43' ' ' VAL . 71.8 t -90.41 112.15 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.0 118.06 35.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.032 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 88.7 m-85 -88.31 114.11 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.26 0.552 . . . . 0.0 109.901 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 31.1 t80 -150.2 97.33 2.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 41' ' ' LEU . 3.1 p -78.56 88.58 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.274 0.559 . . . . 0.0 112.271 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -69.35 -22.72 63.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.668 174.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.93 126.34 52.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.122 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.25 16.09 63.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.202 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -170.39 -70.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . 135.21 -97.17 0.28 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.096 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 pp -153.46 149.49 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.7 mp -128.94 138.8 53.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.3 t -61.12 125.99 25.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' HG21 ' A' ' 66' ' ' VAL . 25.3 mmtp -65.33 -10.13 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -85.54 -21.01 28.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.161 0.505 . . . . 0.0 110.388 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.16 12.18 20.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.545 HG21 ' HD3' ' A' ' 63' ' ' LYS . 98.2 t -77.74 137.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.857 177.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.3 67.5 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 7.8 p90 -84.59 118.69 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.3 m -124.6 174.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.203 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 28' ' ' PHE . 84.3 mt -82.1 111.95 19.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.64 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.721 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 12' ' ' LEU . 22.2 mt -68.19 109.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.163 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 p -131.34 144.07 50.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.584 ' HB2' HD21 ' A' ' 12' ' ' LEU . 36.8 t -79.65 135.35 56.46 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 57.1 Cg_endo -70.7 -5.33 16.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.189 2.593 . . . . 0.0 113.857 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.5 p -115.88 -48.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.294 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.66 94.98 5.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -60.27 87.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.475 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -147.6 156.02 42.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 131.39 44.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 5' ' ' CYS . 28.3 mt -88.78 155.9 19.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.509 . . . . 0.0 111.435 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.46 96.08 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -72.31 135.67 46.01 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.301 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -138.88 90.6 2.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.688 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.0 -114.62 6.96 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.07 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.12 -24.6 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.407 0.622 . . . . 0.0 110.808 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -108.4 151.23 26.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.317 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -112.45 109.23 18.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.59 172.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -83.07 119.91 25.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.593 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' HA ' HD22 ' A' ' 12' ' ' LEU . 21.8 t -78.88 135.6 37.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.99 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -64.4 -89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.747 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.525 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 63.8 p -67.96 146.19 53.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 23' ' ' THR . 19.0 p 54.16 93.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.134 0.896 . . . . 0.0 110.276 -169.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.31 100.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.817 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 mttp -142.86 119.22 10.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.461 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-10 -103.85 126.02 50.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.662 . . . . 0.0 110.048 173.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.542 ' HB3' HG23 ' A' ' 70' ' ' ILE . 46.6 m-85 -106.62 134.98 48.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.567 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -74.27 125.29 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 19' ' ' ALA . 83.3 mt -100.1 120.31 39.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 73.9 mt-30 -111.58 146.61 37.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.914 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -88.3 120.78 29.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.34 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.3 mm? -106.52 140.71 38.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' A' ' 41' ' ' LEU . 28.4 p -101.13 138.74 20.05 Favored Pre-proline 0 N--CA 1.448 -0.552 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.59 -25.31 74.17 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.833 3.022 . . . . 0.0 114.036 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.78 30.58 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.231 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -91.01 -50.03 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.163 -0.336 . . . . 0.0 111.479 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 60.79 21.26 11.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.349 0.595 . . . . 0.0 110.801 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -131.28 157.62 77.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.66 110.57 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.471 2.781 . . . . 0.0 113.811 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.663 HD11 ' SG ' ' A' ' 34' ' ' CYS . 10.0 mp -73.12 148.74 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 172.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 96.4 mt-30 -60.27 116.54 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 111.21 -175.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 2.6 p -71.2 109.58 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.591 0.71 . . . . 0.0 110.536 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 55' ' ' GLN . 59.8 mt -121.25 110.66 16.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.31 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -92.6 89.56 6.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.48 85.83 5.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m 66.3 -83.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.654 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.5 7.67 12.31 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.247 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.39 138.9 54.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.98 114.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.467 ' OD2' ' HD2' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -121.77 160.05 25.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.178 -176.402 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.617 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 53.1 m-85 -140.18 97.49 3.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.866 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . 47.7 p90 -155.51 151.36 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.103 0.478 . . . . 0.0 111.57 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 58' ' ' HIS . 9.0 m -72.16 88.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.047 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' HD11 ' A' ' 44' ' ' LEU . 63.3 tt0 -61.03 -45.91 92.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -123.45 149.29 45.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.965 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -25.89 26.67 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.054 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 14.9 t-160 -138.46 -63.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.08 152.93 7.24 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.84 135.69 51.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.203 0.525 . . . . 0.0 110.916 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -103.83 140.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 65' ' ' ARG . 7.1 m -50.06 124.45 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.515 0.509 . . . . 0.0 110.839 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 85.4 tttt -64.26 -25.01 67.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.921 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.97 1.53 52.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.175 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 72.1 ttt180 -116.02 -23.54 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 27.0 m -64.49 156.73 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.703 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -108.65 105.42 15.02 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.776 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 26.0 m-85 -81.27 110.21 16.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 177.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.16 174.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 28' ' ' PHE . 78.0 mt -76.79 114.26 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.882 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 m . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -177.553 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 . . . . . 0 C--O 1.235 0.294 0 N-CA-C 110.507 -0.182 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -69.06 107.73 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 11' ' ' ALA . 1.5 m -128.54 134.74 48.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.688 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -69.82 132.55 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 28.2 Cg_exo -61.72 -73.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.109 2.539 . . . . 0.0 113.668 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.26 -28.56 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -96.63 36.99 1.31 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.661 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -42.98 96.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.445 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' HG21 ' A' ' 23' ' ' THR . 16.3 t-80 -178.81 65.1 0.01 OUTLIER 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.687 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . 57.01 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 5' ' ' CYS . 53.0 mt -111.26 164.59 12.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.423 173.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 42.5 tt0 -118.08 110.75 18.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 14' ' ' ARG . 18.9 ptt85 -77.91 128.54 34.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 0.0 111.19 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.54 -16.03 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.066 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.49 -73.68 0.4 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.43 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -88.95 -21.89 23.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.509 . . . . 0.0 110.149 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -127.22 165.14 20.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.98 151.73 27.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -142.16 135.1 28.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.864 0.364 . . . . 0.0 111.008 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.687 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 36.3 m -79.33 112.89 17.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.472 . . . . 0.0 109.803 172.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 4.6 pm0 -86.7 -14.02 43.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.157 0.98 . . . . 0.0 109.449 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.573 HG21 ' HB3' ' A' ' 10' ' ' HIS . 11.9 m -93.1 -10.34 36.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.814 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -153.61 -171.57 3.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.85 -167.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.63 68.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.55 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 28.5 mtpp -137.96 135.1 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.11 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -120.79 136.03 55.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.545 ' HB3' HG23 ' A' ' 70' ' ' ILE . 61.3 m-85 -116.86 125.36 51.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 111.623 -174.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -76.28 122.26 24.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.673 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.9 mt -100.32 125.43 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.156 0.503 . . . . 0.0 111.096 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -111.62 99.71 8.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.161 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.36 98.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.913 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -105.44 148.16 27.47 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.199 0.523 . . . . 0.0 110.987 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 41' ' ' LEU . 11.0 p -96.75 110.03 51.39 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.069 176.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 51.4 Cg_exo -55.05 -36.27 92.37 Favored 'Trans proline' 0 N--CA 1.473 0.29 0 C-N-CA 123.941 3.094 . . . . 0.0 113.588 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.58 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 27.6 p -84.64 84.45 7.67 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -81.97 89.79 6.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.62 0.724 . . . . 0.0 111.194 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.711 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.8 mt-30 -148.08 158.64 41.47 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.36 117.23 1.88 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.681 HD11 ' SG ' ' A' ' 34' ' ' CYS . 8.8 mp -76.35 176.14 8.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.79 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.56 122.77 30.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.7 t -78.43 99.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.633 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -89.01 89.72 8.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.206 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.538 ' HB3' HG12 ' A' ' 50' ' ' VAL . 11.5 pttt -86.09 100.34 12.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 83.61 8.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 m 63.96 24.27 13.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.565 175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.92 -65.47 0.38 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.945 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -81.77 145.81 30.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.547 0.213 . . . . 0.0 110.816 -176.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 45' ' ' LYS . 35.8 m -97.17 148.9 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.087 0.47 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -144.48 130.31 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 54.1 m-85 -93.72 114.51 26.82 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -149.27 129.6 13.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.952 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 59.1 m -71.79 88.67 1.02 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.84 -50.39 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -107.67 -53.21 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.236 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 54' ' ' CYS . . . -91.85 169.25 32.26 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.103 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 39' ' ' GLN . 11.9 m170 71.07 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.28 0.632 . . . . 0.0 111.248 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.495 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 148.05 120.22 1.13 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.3 pt? -59.95 103.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 111.122 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.3 mm -83.44 132.93 30.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 m -49.85 136.69 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.4 0.438 . . . . 0.0 110.228 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' HG23 ' A' ' 66' ' ' VAL . 42.0 tttp -64.27 -19.17 65.22 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -171.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.13 -16.1 59.95 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -104.08 -4.38 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -76.64 125.87 36.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.759 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.35 100.96 12.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.314 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -72.86 100.2 2.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.647 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.99 126.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.7 mt -73.21 96.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -174.812 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.894 0.378 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.41 HD13 HD11 ' A' ' 30' ' ' LEU . 47.0 mt -73.6 113.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 63.8 p -116.86 137.67 52.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 40.9 t -66.68 131.97 94.06 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.48 -25.71 75.05 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.245 2.63 . . . . 0.0 113.559 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.1 p -101.21 -1.5 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.334 0.588 . . . . 0.0 110.76 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.733 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 58.5 m -112.12 -39.49 4.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.4 m80 60.15 20.33 9.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.696 0.76 . . . . 0.0 109.7 -170.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 25.4 m80 -107.02 145.72 31.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.368 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.64 131.15 41.35 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.305 0.378 . . . . 0.0 110.075 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 21' ' ' CYS . 30.7 mt -85.13 142.1 29.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.461 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.22 124.38 25.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.663 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' THR . 47.7 ttt180 -104.54 98.5 8.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.374 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.94 -87.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.89 57.63 0.92 Allowed Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 14' ' ' ARG . 2.7 t0 61.47 17.53 8.54 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 122.055 0.931 . . . . 0.0 110.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 6.4 m -108.25 140.54 41.34 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 12' ' ' LEU . . . -111.23 105.76 14.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 111.791 -170.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -83.47 126.2 32.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.701 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.622 ' HA ' HD22 ' A' ' 12' ' ' LEU . 41.8 t -78.98 132.74 36.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.959 0.409 . . . . 0.0 110.769 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -38.36 88.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.041 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -108.99 -33.07 7.02 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -83.39 -9.39 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.509 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 58.23 31.54 20.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.548 0.69 . . . . 0.0 110.666 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -126.05 119.44 27.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.675 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.16 143.18 30.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.283 0.563 . . . . 0.0 110.459 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -105.39 127.91 53.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.678 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -83.38 120.62 26.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD11 HD13 ' A' ' 3' ' ' ILE . 87.7 mt -100.44 147.33 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.955 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -117.08 124.35 49.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.296 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.91 118.05 15.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.371 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 33' ' ' LEU . 13.6 tp -126.99 162.83 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 64.9 m -96.59 125.03 48.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.38 -17.3 27.29 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 121.969 1.78 . . . . 0.0 110.928 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 34' ' ' CYS . 6.0 p-10 -91.59 -16.85 26.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 2.3 p -164.8 91.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.484 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -80.87 76.14 7.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.396 0.617 . . . . 0.0 111.922 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' HD23 ' A' ' 41' ' ' LEU . 81.1 mm-40 -141.99 165.85 25.19 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.2 123.51 10.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.173 1.915 . . . . 0.0 112.235 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 9.9 mt -80.54 -179.62 7.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.286 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.41 116.77 23.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 t -76.77 103.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.206 0.526 . . . . 0.0 110.483 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.2 104.16 16.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -90.79 119.44 31.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.57 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.97 -94.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.882 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.14 -68.66 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.47 30.23 6.31 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.19 161.39 30.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.106 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 143.21 34.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.115 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -131.36 167.63 18.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 93.7 m-85 -123.22 106.87 11.11 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.04 135.81 18.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.407 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.738 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 23.8 m -78.66 107.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.156 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -81.81 -51.38 8.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -148.47 144.85 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.328 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.76 44.21 7.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.876 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.738 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 3.2 t-80 -169.94 -65.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.068 0.434 . . . . 0.0 110.077 175.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.09 100.74 0.39 Allowed Glycine 0 C--O 1.24 0.527 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.63 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.54 150.14 36.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.167 0.508 . . . . 0.0 111.45 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -128.78 162.99 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 m -71.27 114.73 9.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 8.1 ptmm? -74.17 1.01 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -167.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -24.54 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.53 . . . . 0.0 109.94 169.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 73.0 ttt180 -116.45 29.16 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.712 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 32' ' ' ALA . 42.4 t -66.95 143.58 15.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.39 83.09 6.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 84.2 m-85 -76.5 103.64 6.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.224 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.26 153.17 7.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.24 123.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.954 -173.548 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.519 0.2 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -71.56 142.01 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 3.5 p -122.56 136.06 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 111.36 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 52.0 t -64.72 139.63 97.82 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 49.9 Cg_exo -56.79 -30.98 86.92 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.229 2.619 . . . . 0.0 113.269 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.28 -54.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 0.0 110.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.47 84.5 1.98 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.317 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' HA ' ' HB ' ' A' ' 4' ' ' THR . 43.8 m80 -70.36 77.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 172.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -123.83 -71.42 0.72 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.255 -175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.92 141.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.503 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 HG22 ' A' ' 3' ' ' ILE . 49.7 mt -112.0 146.19 38.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 177.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 17.7 mt-10 -87.64 87.78 7.48 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.746 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -84.72 104.98 15.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.008 0.432 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.69 24.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.97 -97.01 0.59 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -105.01 14.01 30.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.512 0.672 . . . . 0.0 110.406 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 m -141.43 133.73 28.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.977 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.79 125.37 52.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.654 0.264 . . . . 0.0 111.017 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.47 ' HD2' ' OE2' ' A' ' 13' ' ' GLU . 59.5 t60 -102.06 140.59 36.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.47 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 23' ' ' THR . 2.4 t -114.42 113.07 24.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.1 176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.25 -44.1 72.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.617 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 38.7 p -66.26 118.45 9.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 23' ' ' THR . 25.4 p 51.54 93.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.486 0.66 . . . . 0.0 110.59 -171.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 93.99 0.01 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.193 -176.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -141.82 130.47 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.396 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.88 128.22 55.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -107.02 128.3 54.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.78 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -78.95 122.97 26.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 88.0 mt -100.73 139.42 36.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.42 -175.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -111.43 124.67 52.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.78 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -68.85 112.94 5.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 69' ' ' VAL . 1.9 tp -123.18 155.48 36.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 6.1 m -97.51 141.83 23.62 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 175.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.36 -25.68 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.446 2.097 . . . . 0.0 110.213 168.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 2.9 p-10 -79.15 -84.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.806 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 5.9 p -85.63 99.72 11.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.411 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -83.64 70.93 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.757 0.789 . . . . 0.0 110.258 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.474 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 26.1 mt-30 -143.95 175.01 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.301 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 33.8 Cg_exo -61.66 3.37 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.75 2.3 . . . . 0.0 114.017 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' SG ' ' A' ' 54' ' ' CYS . 52.1 mt 63.16 -89.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.137 0.575 . . . . 0.0 111.284 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.431 HE21 HD21 ' A' ' 44' ' ' LEU . 29.9 tt0 -164.31 119.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.46 118.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 53' ' ' PHE . 97.9 mt -122.42 139.21 54.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.679 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 42.0 mtpt -96.6 148.91 22.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 47' ' ' CYS . . . 73.75 -154.46 0.06 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 124.127 0.892 . . . . 0.0 109.061 -170.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 37.8 t 69.74 -59.98 0.49 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 -173.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.3 -48.5 0.18 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.19 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -121.43 98.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -104.58 159.03 16.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.773 -166.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.52 96.8 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 45.7 t80 -148.79 105.69 3.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.773 -165.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 41' ' ' LEU . 9.7 p -89.42 88.54 7.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.976 -174.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -65.01 -43.57 92.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.975 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -110.58 173.19 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.545 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.12 -62.78 4.58 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -105.66 -75.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.9 135.93 2.27 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.071 -175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -62.81 133.42 54.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 66' ' ' VAL . 1.6 mp -113.04 133.22 59.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 66' ' ' VAL . 17.7 m -59.27 137.28 58.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.7 mttt -69.15 2.78 2.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 112.183 -174.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 4.6 tmtm? -86.13 -20.78 28.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 172.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -112.33 -14.18 13.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.142 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 61' ' ' ILE . 91.8 t -65.56 139.58 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -84.23 100.24 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.959 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.528 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 96.5 m-85 -84.85 107.22 16.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.368 . . . . 0.0 110.734 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 33' ' ' LEU . 13.6 p -102.1 143.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.15 136.14 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.085 0.469 . . . . 0.0 110.399 177.104 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -74.62 89.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.581 0.705 . . . . 0.0 111.112 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.6 m -123.73 126.25 46.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.833 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.53 ' HB2' HD21 ' A' ' 12' ' ' LEU . 40.9 t -75.35 120.63 82.54 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.83 1.39 7.09 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.882 2.388 . . . . 0.0 112.924 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 t -94.28 -31.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.64 -8.32 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.311 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 t60 61.15 32.83 19.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.409 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.24 143.72 44.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 140.08 52.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.009 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 5' ' ' CYS . 72.1 mt -98.53 163.4 12.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.122 0.487 . . . . 0.0 111.798 -172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -95.58 130.03 42.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.731 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.8 110.01 22.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -121.61 87.38 2.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 0.0 109.866 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.22 -118.4 14.33 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.784 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.61 -10.08 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -125.98 135.39 51.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.26 0.552 . . . . 0.0 112.229 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.48 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -111.01 112.32 24.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.425 ' HD2' ' OE2' ' A' ' 22' ' ' GLU . 71.4 t60 -91.08 129.86 37.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.522 ' HA ' HD22 ' A' ' 12' ' ' LEU . 32.8 t -96.41 110.83 23.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 62.1 mm-40 -65.13 -74.81 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.201 0.313 . . . . 0.0 110.469 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -63.67 130.25 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 14.5 p 48.7 92.45 0.02 OUTLIER 'General case' 0 C--O 1.249 1.064 0 C-N-CA 123.304 0.642 . . . . 0.0 109.938 -166.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -60.96 116.89 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 mtpp -151.45 123.6 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.396 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.79 112.15 24.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 0.0 110.149 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 26' ' ' LYS . 92.8 m-85 -99.35 121.34 40.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.664 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.68 17.89 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 25.7 mt -106.08 142.95 34.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.058 0.456 . . . . 0.0 111.544 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -137.6 133.5 34.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.489 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.15 120.76 18.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.683 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.4 159.33 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.244 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.62 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -96.72 115.56 65.73 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 -175.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.569 ' HG3' ' HB2' ' A' ' 67' ' ' ASN . 7.8 Cg_exo -72.64 60.15 3.45 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.789 2.326 . . . . 0.0 109.592 171.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.509 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t0 -168.39 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.561 -163.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -27.58 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' H ' ' HB3' ' A' ' 34' ' ' CYS . 54.3 ttt180 58.99 24.95 13.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.851 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.75 166.27 46.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 170.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.0 -0.2 3.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.35 2.033 . . . . 0.0 111.865 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 34' ' ' CYS . 77.3 mt 64.68 -174.79 0.17 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.11 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.34 121.24 44.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.598 HG22 ' CE2' ' A' ' 52' ' ' TYR . 17.5 t -73.55 118.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.332 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 mt -111.5 97.82 7.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.406 0.622 . . . . 0.0 110.144 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.01 105.67 15.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.116 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -98.66 177.75 5.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.5 m -71.83 101.97 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.034 0.445 . . . . 0.0 110.303 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.41 77.34 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.491 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -150.81 151.62 32.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.62 106.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.623 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -110.17 157.12 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 27.8 m-85 -130.38 103.95 6.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.03 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HA ' HD13 ' A' ' 41' ' ' LEU . 29.3 p90 -160.91 149.31 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.3 0.571 . . . . 0.0 111.264 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.42 100.52 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.442 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.01 172.72 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.955 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.48 -57.22 5.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 2.9 t-160 -121.11 -73.12 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.0 162.64 10.06 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.597 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.25 136.73 15.05 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.389 0.676 . . . . 0.0 112.395 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.1 mp -112.17 140.36 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 171.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -53.86 116.15 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 16.6 ptpt -64.73 -9.21 18.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -167.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 7.8 mtpm? -77.63 -31.81 52.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.886 0.374 . . . . 0.0 110.544 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -105.46 2.07 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 88.8 t -68.45 134.27 30.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.569 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 54.1 t30 -83.91 95.77 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.693 -173.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -71.91 107.29 4.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.568 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.12 159.33 2.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.21 113.32 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.21 0.529 . . . . 0.0 110.036 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 t . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.973 -179.677 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 11' ' ' ALA . 2.4 tm-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 12' ' ' LEU . 36.6 mt -62.89 -54.64 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 110.456 -175.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 m 67.57 128.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.645 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.0 t -74.95 112.79 19.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.14 -23.26 73.03 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.217 2.611 . . . . 0.0 113.514 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.68 7.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 111.685 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -131.63 -27.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.9 16.81 10.63 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.497 0.665 . . . . 0.0 109.963 -177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -95.81 158.96 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.266 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . . . -79.63 123.27 27.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.964 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.528 HD12 ' HB ' ' A' ' 3' ' ' ILE . 35.0 mt -68.77 118.45 11.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 111.176 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.28 95.64 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.151 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.556 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 17.5 ptt180 -99.94 149.04 23.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.451 0.643 . . . . 0.0 111.166 -174.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -88.4 -9.95 50.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.888 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.05 -59.58 0.67 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.54 -46.69 8.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.17 -0.515 . . . . 0.0 110.974 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 29' ' ' SER . 1.1 p -108.42 156.16 19.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . . . -123.46 134.61 53.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -177.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -112.65 124.52 52.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.717 0.294 . . . . 0.0 110.679 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.1 t -92.92 115.32 28.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -30.24 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.534 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.08 58.49 2.17 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.379 0.609 . . . . 0.0 110.307 176.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 m -177.0 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.009 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.43 22.06 11.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.777 0.798 . . . . 0.0 109.49 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -110.15 126.87 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.836 -176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -99.67 130.43 45.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.642 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -98.44 128.29 44.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.183 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' THR . 15.9 t -99.65 113.22 25.53 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.367 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.0 mp -102.92 164.71 11.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.402 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -111.57 142.13 44.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -82.54 95.81 7.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.062 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . 12.1 tp -97.14 157.44 15.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HB3' HG13 ' A' ' 61' ' ' ILE . 2.2 p -98.9 108.99 52.07 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.78 0.324 . . . . 0.0 110.14 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.61 -33.86 54.05 Favored 'Trans proline' 0 N--CA 1.474 0.376 0 C-N-CA 123.479 2.786 . . . . 0.0 114.07 -171.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.64 -50.86 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.218 0.532 . . . . 0.0 111.015 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 26.0 p -116.87 82.2 1.76 Allowed 'General case' 0 C--O 1.25 1.079 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.811 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -77.22 88.27 3.66 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.756 0.66 . . . . 0.0 112.238 -168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.709 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 25.8 mt-30 -153.8 157.76 32.58 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -44.35 124.19 4.98 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.118 2.545 . . . . 0.0 113.103 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 33' ' ' LEU . 5.2 mp -80.74 -178.49 6.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.367 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 62.3 tt0 -90.86 127.38 36.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.54 103.02 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.141 0.496 . . . . 0.0 110.714 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.3 mt -94.17 97.2 10.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.484 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.05 132.15 35.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.961 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.46 -169.36 1.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.44 88.24 3.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.089 0.471 . . . . 0.0 110.308 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -39.99 2.57 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.176 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.73 131.73 34.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 111.072 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.3 107.23 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.344 0.592 . . . . 0.0 110.067 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.89 131.9 38.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 95.4 m-85 -89.94 104.42 16.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 28.7 t80 -148.98 105.52 3.54 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.4 p -78.73 94.65 5.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.194 0.521 . . . . 0.0 110.62 -177.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -95.91 -57.88 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.07 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -79.46 7.35 8.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.257 0.551 . . . . 0.0 111.164 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -159.05 159.4 30.32 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 10.5 m170 68.76 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 117.295 0.547 . . . . 0.0 110.763 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.6 131.76 2.26 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -52.25 129.91 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.29 0.567 . . . . 0.0 111.203 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 34' ' ' CYS . 39.7 mm -101.6 132.11 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.778 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -55.88 133.96 51.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -75.26 8.34 2.78 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.791 0.664 . . . . 0.0 112.791 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -97.88 -56.96 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 171.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -84.4 67.12 9.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.856 0.836 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 44.4 t -106.57 140.78 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.779 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 3.7 t-20 -83.46 80.27 9.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -72.67 102.25 3.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.1 p -125.2 142.38 42.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.773 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.449 HG12 ' HG ' ' A' ' 30' ' ' LEU . 35.9 mt -82.13 85.01 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 171.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.273 -173.501 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 121.446 0.641 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.55 99.17 8.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 166.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.547 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 3.0 m -119.13 125.7 49.87 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.545 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.2 t -67.93 122.68 84.78 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -39.91 74.4 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.52 2.813 . . . . 0.0 113.721 -173.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.82 -11.16 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.027 0.442 . . . . 0.0 111.334 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 10' ' ' HIS . 76.1 m -103.94 -52.01 3.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 41.5 t60 54.11 43.2 31.05 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.864 0.84 . . . . 0.0 109.119 -167.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 16.3 m80 -130.97 25.07 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.061 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.26 -173.97 0.14 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.21 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 5' ' ' CYS . 85.6 mt -144.81 163.49 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.57 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.21 127.35 51.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -79.23 113.05 17.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.906 0.384 . . . . 0.0 110.017 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.85 -15.17 57.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.205 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.04 -77.52 0.23 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.237 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.57 -14.25 16.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 29' ' ' SER . 34.3 p -123.6 167.5 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.902 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.84 123.15 49.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -97.41 122.65 40.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.965 0.412 . . . . 0.0 110.824 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 4.9 t -92.62 113.86 26.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.438 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -76.55 -57.21 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -66.09 114.46 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 2.9 p 59.14 97.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.7 0.762 . . . . 0.0 109.192 -164.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -70.83 100.73 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.076 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -151.53 149.76 29.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.148 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.95 148.99 33.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.124 0.488 . . . . 0.0 110.659 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 70' ' ' ILE . 79.7 m-85 -120.28 128.89 53.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 18' ' ' THR . 50.7 m -73.63 125.41 27.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 85.6 mt -100.11 135.04 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.206 0.527 . . . . 0.0 111.161 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -118.6 120.98 39.09 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.311 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -66.31 115.66 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.9 tp -125.23 155.28 40.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 61' ' ' ILE . 5.0 t -105.36 130.62 22.78 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.62 -39.11 67.15 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 C-N-CA 123.203 2.602 . . . . 0.0 113.595 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.24 -14.28 58.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.527 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.29 91.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.284 0.564 . . . . 0.0 110.736 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -85.15 76.23 10.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.687 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mt-30 -147.89 176.24 2.32 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.623 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.687 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 11.4 Cg_endo -56.38 107.5 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.77 1.647 . . . . 0.0 110.893 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 52' ' ' TYR . 77.3 mt -72.96 -171.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.747 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG2' ' HA ' ' A' ' 54' ' ' CYS . 49.6 mm-40 -80.52 102.3 9.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.63 101.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.21 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.34 117.05 33.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.32 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -85.34 126.04 33.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 0.0 111.309 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.37 -169.25 2.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.699 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p -52.68 -55.47 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.432 . . . . 0.0 111.154 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 38.27 1.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.749 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 166.6 30.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.3 t -120.66 115.22 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.64 117.92 33.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.424 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.641 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 97.3 m-85 -89.46 96.78 10.85 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 10.2 t80 -144.99 116.25 7.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 59.9 m -67.65 90.04 0.26 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.8 -37.73 29.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.857 0.361 . . . . 0.0 110.765 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -124.27 -26.41 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.74 24.54 12.16 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.545 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 9.5 t-160 172.41 -60.93 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.8 147.59 6.12 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.4 pt? -54.29 135.94 43.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 110.837 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.58 HG12 ' SG ' ' A' ' 34' ' ' CYS . 3.2 mp -102.77 155.82 5.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.395 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 129.36 41.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HA ' HG23 ' A' ' 66' ' ' VAL . 87.5 mttt -68.57 -17.54 64.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -171.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -85.57 -2.72 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.995 0.426 . . . . 0.0 110.614 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -110.86 8.69 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' LYS . 21.9 t -80.03 103.78 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -74.49 93.85 2.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.083 0.468 . . . . 0.0 111.136 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.75 107.81 5.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.87 169.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.143 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.466 HG23 ' HB3' ' A' ' 28' ' ' PHE . 72.2 mt -101.49 112.28 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.232 178.674 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -77.06 125.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 11' ' ' ALA . 1.5 t -155.7 141.87 18.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -60.74 125.57 83.21 Favored Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.88 -60.27 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.975 2.45 . . . . 0.0 113.211 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.94 -23.45 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 0.0 111.438 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -116.13 56.65 0.77 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.511 0.672 . . . . 0.0 109.914 177.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.23 128.24 34.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.765 -172.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.746 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 27.2 t-80 -178.94 -60.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' THR . . . -175.35 -174.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.749 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 5' ' ' CYS . 13.1 mt -144.31 143.8 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.288 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -107.12 104.28 13.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.035 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.08 114.22 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.292 0.568 . . . . 0.0 110.389 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -90.31 -1.76 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.91 -55.06 0.74 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.491 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -85.43 -35.22 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.173 0.511 . . . . 0.0 110.548 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -139.76 165.55 26.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.229 0.538 . . . . 0.0 111.516 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.62 110.92 21.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -93.61 133.93 36.43 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.748 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.686 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 10.7 m -79.35 150.69 31.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.793 0.806 . . . . 0.0 110.749 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.746 ' OE2' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -78.58 -72.42 0.38 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.837 -166.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -105.32 1.95 28.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.81 0.814 . . . . 0.0 110.003 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -112.05 138.11 49.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.461 174.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.79 75.86 6.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.44 . . . . 0.0 111.039 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 26.1 mtpp -138.48 141.27 39.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -133.4 120.85 21.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 60.3 m-85 -98.8 139.39 34.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.818 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -78.7 125.02 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.07 132.12 45.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.772 0.32 . . . . 0.0 110.245 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -111.96 128.05 56.05 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -65.58 98.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.762 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 151.42 20.81 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.735 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.559 ' SG ' ' HG ' ' A' ' 41' ' ' LEU . 1.9 p -96.2 109.03 45.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' HG21 ' A' ' 61' ' ' ILE . 23.6 Cg_endo -60.97 -49.51 8.1 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 123.368 2.712 . . . . 0.0 113.691 -172.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.45 -57.49 11.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 110.383 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 26.4 p -105.49 85.18 2.2 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 46.4 ttp180 -74.28 91.21 2.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.87 0.843 . . . . 0.0 111.412 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -171.95 165.48 4.07 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 113.951 -1.477 . . . . 0.0 107.8 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.43 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 82.6 Cg_exo -42.12 149.24 0.31 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 123.619 2.879 . . . . 0.0 113.962 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' HG ' ' SG ' ' A' ' 34' ' ' CYS . 5.2 mp -112.39 -171.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.358 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 6.5 tp60 -84.75 129.13 34.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.8 t -79.27 103.92 6.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 65.7 mt -95.29 130.64 41.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.869 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.9 125.96 47.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.04 170.06 8.78 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.4 p -56.96 -45.22 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.0 111.648 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.48 30.23 3.48 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.521 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -158.09 156.11 30.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.975 0.416 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.39 106.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.43 139.29 34.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.035 0.445 . . . . 0.0 111.461 -172.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 55.8 m-85 -96.25 108.22 20.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 7.0 t80 -151.16 105.84 3.27 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 2.1 p -80.02 88.27 5.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.832 -174.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -78.44 -68.67 0.62 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.412 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -89.61 111.49 22.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.585 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.38 -51.6 0.8 Allowed Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.644 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.6 m170 -116.45 -58.12 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.603 -0.351 . . . . 0.0 110.31 -177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.22 -98.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.254 175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.86 107.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 ' HD2' ' A' ' 35' ' ' PRO . 20.4 mm -88.67 125.45 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.043 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t -51.37 132.72 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.238 0.336 . . . . 0.0 110.163 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 66' ' ' VAL . 65.9 pttt -64.0 -13.81 49.33 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.736 -173.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -86.43 -15.03 41.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 0.0 110.208 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -111.0 -6.77 14.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 -176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 32' ' ' ALA . 59.2 t -61.44 119.33 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' ND2' ' HB ' ' A' ' 69' ' ' VAL . 6.1 t30 -92.63 99.7 12.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 -175.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.42 103.1 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' HB ' ' ND2' ' A' ' 67' ' ' ASN . 12.7 p -117.21 147.91 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.895 0.379 . . . . 0.0 111.505 -172.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.92 127.76 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.819 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.782 -178.211 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 12' ' ' LEU . 1.1 pp -77.91 127.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -115.27 155.62 26.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.581 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HB2' HD21 ' A' ' 12' ' ' LEU . 42.5 t -75.95 111.73 16.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.68 -25.73 76.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.871 2.381 . . . . 0.0 112.856 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.494 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.4 p -93.4 -7.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.292 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -124.29 -17.11 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 64.25 12.72 7.38 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.767 0.794 . . . . 0.0 110.283 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -100.4 150.71 22.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.012 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.57 135.47 43.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.7 mt -84.72 117.7 23.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.344 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.89 119.55 15.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.056 -0.657 . . . . 0.0 109.533 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 14.3 ttp85 -83.65 111.94 19.58 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.774 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.73 0.776 . . . . 0.0 109.233 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 137.26 -77.64 0.34 Allowed Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.882 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.14 -14.19 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.446 0.641 . . . . 0.0 110.181 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 27' ' ' ASP . 24.8 m -138.16 146.25 42.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -110.87 140.58 45.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -127.83 129.16 46.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 44.3 t -97.48 125.72 42.32 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.752 174.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -77.59 -28.38 51.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 111.259 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -85.77 18.05 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.568 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HE2' ' A' ' 26' ' ' LYS . 12.7 m -146.6 -37.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.872 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.35 17.8 5.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.306 0.642 . . . . 0.0 110.176 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 46.7 mtmt -91.49 144.31 25.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.956 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HB3' HG21 ' A' ' 18' ' ' THR . 32.0 m-20 -114.55 130.0 56.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.84 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -112.09 136.43 51.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -80.85 136.45 36.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 19' ' ' ALA . 98.6 mt -111.5 132.61 54.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.905 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -112.28 136.74 51.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.175 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.99 114.35 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 38' ' ' ARG . 3.0 mp -111.59 147.36 35.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.623 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' A' ' 61' ' ' ILE . 57.7 m -96.68 150.93 37.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.955 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.9 Cg_exo -65.81 -26.93 52.06 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.604 2.203 . . . . 0.0 112.074 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.6 -29.74 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.37 101.78 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.15 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.571 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -89.41 48.41 1.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.766 0.793 . . . . 0.0 110.549 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.465 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -103.87 176.98 1.55 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.049 172.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.465 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 34.7 Cg_exo -64.57 9.94 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.483 2.122 . . . . 0.0 113.438 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' SG ' ' A' ' 54' ' ' CYS . 51.8 mt 54.04 -102.97 0.16 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.368 0.667 . . . . 0.0 111.258 177.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 52.6 tt0 -147.61 107.14 3.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.97 121.79 22.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.74 0.781 . . . . 0.0 111.751 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 mt -114.56 145.35 42.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.683 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -134.52 133.5 40.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 0.0 110.846 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 115.62 17.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.822 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.2 m 62.65 -87.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.746 0.654 . . . . 0.0 110.722 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.58 4.11 5.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.03 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.26 145.99 29.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 m -121.17 143.26 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.37 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.52 132.0 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 89.4 m-85 -97.2 102.93 14.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 9.4 t80 -140.99 119.15 12.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.961 -167.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 41' ' ' LEU . 87.4 m -66.96 130.05 41.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 110.257 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -114.22 -77.33 0.57 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.09 113.71 26.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.18 -43.63 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.779 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.0 t-160 -122.71 -67.2 0.97 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.231 0.539 . . . . 0.0 109.719 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.97 177.13 14.72 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.2 pp -72.68 139.0 47.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.408 0.623 . . . . 0.0 111.12 -175.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG13 ' SG ' ' A' ' 34' ' ' CYS . 30.9 mm -115.96 132.22 66.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.427 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -55.17 113.5 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -75.12 8.32 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -98.92 4.8 47.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -122.03 -0.42 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.977 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.86 155.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.184 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -98.76 100.04 11.2 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.88 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -77.62 108.75 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.12 150.29 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.054 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.94 107.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.319 -0.73 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 -176.267 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.0 mp -79.75 110.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -101.68 136.71 41.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.344 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' HD21 ' A' ' 12' ' ' LEU . 47.8 t -64.67 128.67 93.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.261 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.76 -23.29 35.89 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.366 2.044 . . . . 0.0 112.073 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.66 -60.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.12 -16.48 49.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.766 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 55.62 45.21 25.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.046 0.927 . . . . 0.0 109.738 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -132.27 146.12 51.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.888 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 135.9 56.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 111.484 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 5' ' ' CYS . 62.7 mt -82.77 154.95 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 109.54 20.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -89.9 111.25 22.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.087 0.47 . . . . 0.0 110.556 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -94.81 -10.38 31.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.472 0.654 . . . . 0.0 109.697 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 103.0 116.43 4.2 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 25.4 t70 73.19 -35.48 0.32 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.115 0.566 . . . . 0.0 111.236 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 16' ' ' GLY . 4.4 m -117.12 133.55 55.86 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.828 0.347 . . . . 0.0 110.567 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.88 115.99 30.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.027 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -110.61 125.71 53.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.015 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.87 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 52.3 t -79.57 129.73 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.855 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.9 -27.68 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -107.94 16.77 23.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.959 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 95.6 m -137.48 173.11 12.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.225 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.86 24.32 12.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.557 0.694 . . . . 0.0 109.163 173.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -101.06 142.98 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.067 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -118.25 121.26 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.301 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -104.15 133.92 48.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.5 m -81.0 121.76 26.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.494 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.0 mt -100.5 113.22 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.0 110.595 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.97 139.22 47.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.617 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -91.52 112.99 25.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 -177.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -110.94 162.84 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 41' ' ' LEU . 24.9 p -123.81 156.14 65.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.685 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.23 146.7 9.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.62 2.88 . . . . 0.0 112.346 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.59 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.409 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.597 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.4 p -82.41 78.1 9.1 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.452 0.644 . . . . 0.0 110.859 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' CYS . 86.0 mtt-85 -79.56 6.15 11.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.408 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.929 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 37.2 mt-30 -112.25 -57.44 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.929 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -61.77 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 121.964 1.776 . . . . 0.0 112.178 170.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.688 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 2.6 mp -148.52 152.71 37.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.546 167.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.1 mt-30 -91.38 113.44 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.6 t -78.66 88.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.34 0.591 . . . . 0.0 109.869 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.059 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -90.34 95.96 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.13 158.86 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.151 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -67.64 109.75 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.89 61.5 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.692 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.28 99.15 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.098 0.475 . . . . 0.0 111.341 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.03 116.43 46.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.46 126.43 38.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.919 0.39 . . . . 0.0 111.865 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 58.2 m-85 -86.9 101.13 13.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 165.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 30.9 t80 -146.12 118.84 8.61 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.719 -167.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 90.3 m -77.21 131.02 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.267 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -119.81 -39.19 2.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -109.01 150.62 27.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.705 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.19 -81.19 1.76 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.274 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -79.73 -69.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.379 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.84 168.01 11.42 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 pp -73.85 134.75 43.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.28 0.562 . . . . 0.0 110.865 -177.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.46 126.75 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.251 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -55.05 131.26 44.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.6 ttmt -60.51 -24.03 65.0 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -71.63 -11.04 60.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.207 0.527 . . . . 0.0 110.584 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 3.9 mmp_? -119.4 0.59 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.328 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' CG1' ' HB1' ' A' ' 32' ' ' ALA . 67.9 t -78.58 131.2 34.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -85.86 91.78 8.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.735 0.303 . . . . 0.0 111.382 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.6 97.14 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.22 166.67 19.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.993 0.425 . . . . 0.0 111.248 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 29' ' ' SER . 53.0 mt -77.63 104.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.797 -175.101 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.218 0.533 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 12' ' ' LEU . 11.6 pt -71.36 128.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.581 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -124.74 144.99 49.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 12' ' ' LEU . 45.6 t -78.75 131.62 67.03 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.19 23.43 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.136 2.557 . . . . 0.0 112.868 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.0 t -135.14 -57.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.0 115.31 30.05 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.436 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -69.0 81.36 0.31 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.556 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -145.56 157.35 44.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.438 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HB2' HG13 ' A' ' 3' ' ' ILE . 39.5 mt -91.5 167.01 12.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.13 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.68 150.85 40.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.18 132.32 36.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.315 -176.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.9 33.93 5.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.137 0.494 . . . . 0.0 110.131 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 -100.63 2.69 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.136 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.19 3.36 53.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 111.085 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -147.35 154.52 41.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.337 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.0 145.08 39.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -105.43 135.05 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.123 0.487 . . . . 0.0 111.143 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HA ' HD22 ' A' ' 12' ' ' LEU . 9.0 t -108.23 123.43 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.671 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.74 -77.69 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.284 . . . . 0.0 110.238 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.447 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.37 130.62 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 23' ' ' THR . 16.6 p 50.86 91.15 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.584 0.707 . . . . 0.0 109.84 -164.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 117.74 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.467 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -151.42 156.16 40.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.055 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -130.38 114.76 15.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.109 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 70' ' ' ILE . 75.4 m-85 -98.49 134.87 40.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.746 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -72.18 124.6 25.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 68' ' ' PHE . 4.8 mp -101.43 145.79 28.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.493 0.663 . . . . 0.0 111.623 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 52.3 tt0 -124.76 128.79 49.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.27 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -81.15 123.12 28.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 0.0 111.217 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HG3' ' A' ' 38' ' ' ARG . 12.2 tp -131.71 154.08 49.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 p -115.66 126.26 27.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.897 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.48 -12.07 33.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.718 2.945 . . . . 0.0 112.586 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.61 -32.09 69.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.588 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 28.4 p -143.2 -38.56 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.225 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HG3' HD21 ' A' ' 33' ' ' LEU . 51.5 ttp180 66.64 14.96 9.98 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.243 1.021 . . . . 0.0 109.05 -173.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 2.5 mp0 -86.57 107.73 14.99 Favored Pre-proline 0 C--O 1.254 1.325 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.961 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -20.1 103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.254 1 C-N-CA 125.895 4.397 . . . . 0.0 113.17 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.917 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 8.2 mp -51.67 -86.14 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 -168.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.625 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.8 tp60 168.97 107.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 2.6 p -73.43 110.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.771 0.796 . . . . 0.0 110.128 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 23.0 mt -105.67 115.71 30.71 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.336 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -107.89 142.63 37.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.929 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.86 -91.07 0.55 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -147.02 94.63 2.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 -44.42 2.85 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.365 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.64 31.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 110.722 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.36 119.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.722 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.5 m-20 -110.15 158.21 18.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.925 0.393 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 43.1 m-85 -132.37 110.23 10.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 2.2 t80 -153.3 118.67 5.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -172.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.917 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 76.8 m -67.48 88.53 0.21 Allowed 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -77.14 -32.4 56.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -129.21 168.62 15.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.625 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.99 -63.67 3.81 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.152 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 10.2 t-160 -93.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.75 152.3 6.73 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -55.69 119.2 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.1 mp -81.11 150.16 4.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.594 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -55.6 117.89 4.02 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 172.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -55.75 -32.38 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.265 -171.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -91.67 10.85 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -116.37 -1.2 12.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -72.71 120.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.621 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.13 98.77 8.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HB3' HD23 ' A' ' 30' ' ' LEU . 90.2 m-85 -78.24 97.35 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 172.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -102.46 161.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.828 -176.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 28' ' ' PHE . 74.6 mt -69.65 116.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.187 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 11.8 t . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.292 0.567 . . . . 0.0 110.034 -177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.513 ' HG2' HG23 ' A' ' 4' ' ' THR . 53.3 tt0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.45 HG22 HD12 ' A' ' 12' ' ' LEU . 55.8 mt 67.19 -74.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.647 0.592 . . . . 0.0 111.244 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 11' ' ' ALA . 41.2 p 63.08 137.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.914 1.286 . . . . 0.0 113.329 177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.617 ' SG ' HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -87.81 142.49 32.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.689 176.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.21 -35.49 91.16 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.236 2.624 . . . . 0.0 112.143 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 27.5 m -112.48 160.69 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 16.7 p 41.4 49.47 3.46 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 123.394 0.434 . . . . 0.0 109.938 -174.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 20.2 t-80 -48.58 -95.29 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.875 1.359 . . . . 0.0 113.805 -172.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 41.32 -88.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.19 0.996 . . . . 0.0 112.265 -167.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -155.87 167.56 30.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD21 ' SG ' ' A' ' 5' ' ' CYS . 34.7 mt -128.17 146.33 50.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.66 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -108.36 144.07 36.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.202 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -82.81 100.99 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.901 0.381 . . . . 0.0 110.362 175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 3.1 t-20 -88.5 55.59 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.27 -106.63 1.98 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.774 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.79 -15.3 48.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -108.38 161.78 14.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.273 -173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.93 110.72 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 15' ' ' ASN . 84.5 t60 -96.84 136.86 36.8 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.374 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.742 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 11.0 m -78.85 131.07 36.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.99 0.424 . . . . 0.0 110.193 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.68 -58.51 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.657 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -98.57 18.02 17.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.262 1.03 . . . . 0.0 109.138 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.742 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -142.18 140.25 32.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.102 -173.048 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.94 78.99 9.79 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.7 tppt? -151.34 149.37 29.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.579 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.08 127.51 34.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.4 m-85 -108.07 148.43 29.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.916 0.388 . . . . 0.0 111.319 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -88.37 135.0 33.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 19' ' ' ALA . 86.0 mt -105.9 131.3 53.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -111.66 109.6 19.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.661 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HD2' ' A' ' 52' ' ' TYR . . . -81.07 97.53 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 38' ' ' ARG . 13.1 tp -106.37 162.79 13.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.097 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 2.6 p -96.24 115.29 65.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.257 0.551 . . . . 0.0 109.574 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 67' ' ' ASN . 82.4 Cg_endo -78.16 10.97 2.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.441 2.761 . . . . 0.0 113.767 -171.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -123.47 -61.99 1.35 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.055 0.455 . . . . 0.0 109.841 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -94.53 49.28 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.092 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HG3' HD21 ' A' ' 33' ' ' LEU . 10.7 ttp180 -51.97 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.852 0.834 . . . . 0.0 112.779 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' HD12 ' A' ' 41' ' ' LEU . 52.6 mt-30 -150.19 158.16 36.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.27 117.0 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.354 2.036 . . . . 0.0 112.351 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 39' ' ' GLN . 6.9 mp -78.4 -177.73 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -97.01 138.4 34.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 110.146 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.01 94.24 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.827 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.6 mt -85.62 107.35 17.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 110.429 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.51 98.98 10.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.556 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 96.51 9.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.689 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m 62.79 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.73 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.93 5.27 5.07 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.99 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.53 125.23 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -100.15 118.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.305 -177.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.8 123.11 48.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.735 172.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HD2' ' O ' ' A' ' 32' ' ' ALA . 2.2 t80 -86.25 101.35 12.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HB3' HD12 ' A' ' 44' ' ' LEU . 27.9 t80 -140.8 141.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.745 -167.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 25.8 m -70.09 124.61 24.51 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 174.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -156.55 146.84 21.36 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.282 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 50.36 54.23 11.51 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.061 0.851 . . . . 0.0 111.707 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.25 -58.71 0.62 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.298 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 8.0 t-80 -66.57 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.498 ' N ' ' HB3' ' A' ' 54' ' ' CYS . . . 154.25 -108.92 0.39 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.461 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' HB2' ' A' ' 54' ' ' CYS . 4.0 pp 174.63 150.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.801 0.841 . . . . 0.0 108.741 173.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -128.64 147.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 t -62.66 130.46 45.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HA ' HG23 ' A' ' 66' ' ' VAL . 33.2 mtpt -72.36 8.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 0.0 110.989 -174.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -93.75 -17.88 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.628 174.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 65' ' ' ARG . 5.4 mtm180 -123.55 22.92 9.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.429 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.2 t -73.52 133.92 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' HB3' ' A' ' 35' ' ' PRO . 55.2 t30 -88.09 96.79 10.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.37 . . . . 0.0 110.246 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.57 108.31 15.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.12 130.69 43.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.8 mt -80.93 115.45 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.064 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.32 -0.697 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -177.809 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 . . . . . 0 N--CA 1.468 0.434 0 CA-C-O 120.813 0.339 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.59 125.37 58.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 2.7 p -134.86 161.08 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -67.47 118.0 52.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.021 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 -26.2 41.18 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.406 2.071 . . . . 0.0 112.587 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.45 -36.35 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.961 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -97.38 -12.25 22.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.376 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 5.9 m170 60.5 -178.65 0.1 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.35 -171.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 56.5 m80 74.03 163.9 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.827 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 4' ' ' THR . . . -79.93 167.73 20.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.352 0.596 . . . . 0.0 112.31 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -116.17 157.29 25.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.259 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -105.82 131.55 53.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -81.53 100.88 9.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -71.15 -29.5 65.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.212 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.17 -75.2 0.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.4 -9.43 29.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.587 0.708 . . . . 0.0 109.794 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.58 155.72 48.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.354 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -111.07 124.69 52.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.11 132.43 45.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.122 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.761 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 62.3 m -79.29 138.43 37.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.494 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -77.14 -60.1 2.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.168 0.509 . . . . 0.0 111.228 176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 p -85.27 13.84 5.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.176 -170.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.761 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -161.0 145.35 13.66 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -170.165 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.53 74.01 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.406 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -143.28 127.14 17.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.077 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.57 125.58 53.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.0 m-85 -100.96 131.57 46.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.878 -176.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -76.52 124.97 28.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 19' ' ' ALA . 89.5 mt -100.29 143.49 30.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -133.83 123.67 25.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -75.56 103.87 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 38' ' ' ARG . 12.4 tp -112.3 156.37 22.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.367 -174.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' ' HD2' ' A' ' 35' ' ' PRO . 14.3 t -98.47 142.32 24.4 Favored Pre-proline 0 N--CA 1.45 -0.434 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 60.0 Cg_exo -53.46 -32.41 62.71 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.124 2.55 . . . . 0.0 113.997 -177.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.08 -33.55 9.21 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.789 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.799 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 3.7 p -121.57 134.35 55.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.531 0.681 . . . . 0.0 110.953 -175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HA ' HD11 ' A' ' 33' ' ' LEU . 63.7 mtt85 -115.0 18.35 16.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.534 -172.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 22.2 mt-30 -145.47 -55.41 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.467 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.799 ' HD2' ' HB2' ' A' ' 37' ' ' CYS . 12.1 Cg_exo -72.46 24.87 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.942 2.428 . . . . 0.0 114.808 -171.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.98 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 7.1 mp -84.07 132.53 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.882 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.8 mm-40 -84.08 142.08 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.45 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.6 97.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.125 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 28.5 mt -88.34 117.83 27.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' HG2' HG12 ' A' ' 50' ' ' VAL . 81.0 mttt -99.82 118.27 35.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.153 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.71 83.31 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t 66.88 -75.42 0.06 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.811 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.66 -17.75 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.444 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.18 146.65 25.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.536 HG12 ' HG2' ' A' ' 45' ' ' LYS . 17.3 m -114.55 137.56 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.892 0.377 . . . . 0.0 111.087 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -133.53 123.18 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.164 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.8 m-85 -86.55 116.92 25.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.615 0.721 . . . . 0.0 110.333 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.1 t80 -149.12 99.58 2.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.607 -170.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.98 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 5.6 p -78.68 88.31 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.664 -171.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -77.25 -34.15 55.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.0 109.568 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.32 123.81 50.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.459 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.49 2.92 40.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 7.6 t60 -172.3 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.162 0.506 . . . . 0.0 109.9 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.9 161.38 10.28 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 pp -57.72 131.3 49.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.343 0.592 . . . . 0.0 111.634 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 54' ' ' CYS . 1.5 mp -103.75 157.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.61 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -73.38 119.73 18.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 168.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -73.65 8.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.479 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -93.7 -8.05 41.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.38 -16.54 11.43 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.69 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 63' ' ' LYS . 28.5 m -60.07 144.07 13.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.038 0.447 . . . . 0.0 110.928 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -99.23 101.66 13.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.82 102.53 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.58 148.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 28' ' ' PHE . 70.9 mt -84.59 121.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.027 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.145 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 CA--C 1.523 -0.074 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 12' ' ' LEU . 29.5 mm 67.31 90.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.278 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -124.77 134.62 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.726 -173.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 41.9 t -76.54 140.03 67.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.457 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 14.2 Cg_endo -56.81 -22.61 46.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.434 2.756 . . . . 0.0 113.344 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.83 2.97 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.074 0.464 . . . . 0.0 110.571 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 60.3 m -138.28 68.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.656 0.741 . . . . 0.0 109.764 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -76.63 100.19 5.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.777 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -167.41 -52.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.989 168.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.13 156.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.213 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 5' ' ' CYS . 41.9 mt -115.89 175.41 5.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -94.5 114.27 26.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' THR . 35.5 ttp180 -78.58 93.53 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.636 0.731 . . . . 0.0 109.607 176.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -107.94 105.05 14.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.729 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 37.49 75.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.607 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 64.8 13.4 8.44 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.604 0.716 . . . . 0.0 110.647 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 m -111.14 168.05 9.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -110.74 102.57 11.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.199 0.523 . . . . 0.0 111.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -97.07 123.62 40.86 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 52.5 t -78.85 125.75 29.79 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.921 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -59.6 -47.02 87.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.269 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -89.59 -37.05 14.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.84 -17.84 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.112 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.74 17.59 9.95 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.497 0.498 . . . . 0.0 111.456 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -94.03 148.63 21.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.49 113.13 26.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 69.9 m-85 -102.68 121.47 42.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.501 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.9 t -82.67 147.65 28.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.166 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 mm? -99.68 112.53 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.8 134.91 53.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.906 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.78 101.22 8.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.0 mm? -98.91 143.72 28.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.147 0.499 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.54 118.7 56.94 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.03 -42.93 37.62 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 114.069 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.43 -20.43 60.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.645 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 p -147.53 91.06 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 111.114 -173.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -78.5 82.37 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.72 0.771 . . . . 0.0 109.787 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -151.86 175.03 3.12 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.937 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 95.44 0.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.336 1.357 . . . . 0.0 110.648 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp -43.95 -53.39 6.22 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.809 0.693 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 15.8 tp60 169.98 110.5 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.7 t -78.52 95.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.473 0.654 . . . . 0.0 111.445 -169.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 25.0 mt -95.22 116.62 28.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.953 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -105.05 135.59 46.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.497 -172.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.89 -154.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.809 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.95 -58.71 3.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.797 0.332 . . . . 0.0 110.613 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.87 43.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.447 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.28 135.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.85 129.29 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.78 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -118.89 142.61 47.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.985 -174.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 51.9 m-85 -111.2 103.58 12.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.264 0.554 . . . . 0.0 109.544 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 66.1 t80 -132.86 121.89 23.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.772 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.886 ' HB3' ' H ' ' A' ' 59' ' ' GLY . 43.1 m -67.17 116.12 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -173.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.49 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.759 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.78 -27.73 12.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.835 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -11.02 84.29 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.68 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 9.4 t-160 -174.88 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.387 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.886 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 158.03 157.93 8.71 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -57.03 138.63 54.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 111.876 -174.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mm -120.91 139.18 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -52.68 115.0 1.58 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG23 ' A' ' 66' ' ' VAL . 58.4 tttt -64.76 -22.98 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -167.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -75.26 -17.36 60.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.901 0.382 . . . . 0.0 110.445 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -106.94 -0.12 23.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.399 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.4 t -78.53 139.83 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.672 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -78.99 87.08 4.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.357 . . . . 0.0 111.613 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HZ ' ' HE3' ' A' ' 63' ' ' LYS . 48.1 m-85 -77.0 97.36 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -118.96 158.18 20.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.96 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.4 pt -81.01 70.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.92 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 p . . . . . 0 CA--C 1.537 0.458 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.647 -174.89 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.614 0.245 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.5 pt -82.16 113.85 22.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -115.03 132.17 56.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.086 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.655 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.3 p -70.02 135.78 87.31 Favored Pre-proline 0 N--CA 1.456 -0.152 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -74.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.711 2.274 . . . . 0.0 113.619 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.43 -26.82 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.936 -172.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.811 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -105.34 5.86 32.22 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -175.569 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 2.0 t-80 27.89 89.86 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.22 1.808 . . . . 0.0 115.119 170.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.46 175.69 0.23 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.395 0.678 . . . . 0.0 109.198 167.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.94 137.98 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 5' ' ' CYS . 89.0 mt -94.18 156.72 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.525 172.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.46 131.83 53.76 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -83.33 87.44 6.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.78 106.24 15.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.83 -101.38 0.64 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -169.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -132.73 19.28 4.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.805 174.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -108.72 153.93 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.69 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.77 101.16 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 27' ' ' ASP . 75.8 t60 -99.06 137.17 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.145 -178.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.597 ' HA ' HD23 ' A' ' 12' ' ' LEU . 63.8 m -79.33 130.98 35.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.112 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.82 -35.42 78.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -97.42 11.1 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.9 145.58 29.87 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.136 -169.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.84 48.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.386 0.613 . . . . 0.0 109.859 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -129.68 140.11 51.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.415 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -146.39 137.23 24.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.072 0.463 . . . . 0.0 109.982 170.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.89 157.89 20.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.11 -172.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 p -83.44 130.75 35.04 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.38 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 19' ' ' ALA . 66.2 mt -100.1 140.45 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.207 0.527 . . . . 0.0 110.969 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -131.88 115.1 15.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.577 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.27 89.1 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -89.46 155.44 19.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 41' ' ' LEU . 25.7 p -96.6 129.29 33.42 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.4 Cg_exo -65.71 -28.35 52.04 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 123.763 2.975 . . . . 0.0 112.894 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.54 -64.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.352 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -69.46 -45.51 68.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.57 -179.053 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 53.2 mtp180 57.92 -166.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.441 -173.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.72 ' HA ' HE21 ' A' ' 39' ' ' GLN . 0.0 OUTLIER 75.39 161.95 0.15 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.289 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 9.3 Cg_endo -53.13 112.24 0.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 121.912 1.741 . . . . 0.0 111.722 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 34' ' ' CYS . 24.2 mt -71.42 -166.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.852 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -94.43 114.22 26.21 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.26 97.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.227 0.536 . . . . 0.0 110.418 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.06 146.92 31.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.87 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -104.71 126.96 52.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.99 13.97 33.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.085 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.43 82.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.337 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.1 -42.59 1.85 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.44 166.09 15.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.03 163.31 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.626 0.25 . . . . 0.0 110.517 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.85 149.47 33.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.105 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 38.6 m-85 -108.13 112.13 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -144.35 133.7 23.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 110.203 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.743 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 79.2 m -76.81 122.63 25.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -107.46 -56.74 2.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -127.45 156.57 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.263 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.34 0.38 57.34 Favored Glycine 0 C--O 1.236 0.258 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.128 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.743 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 77.6 m-70 -140.54 -87.56 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.259 0.552 . . . . 0.0 110.442 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 143.54 120.56 1.49 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.1 pp -56.68 136.26 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 111.45 -173.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.789 HD13 HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.99 124.42 72.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.307 -176.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 m -57.0 153.73 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 70.4 mmtt -64.03 -19.75 65.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -169.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -85.64 -17.95 34.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.094 0.473 . . . . 0.0 110.716 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 61' ' ' ILE . 15.5 mmt85 -90.25 -5.34 56.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.129 175.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.789 HG22 HD13 ' A' ' 61' ' ' ILE . 46.1 t -91.3 132.92 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.505 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -107.67 103.75 13.12 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 39.3 m-85 -73.41 98.44 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.147 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.97 176.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.231 0.538 . . . . 0.0 110.944 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.0 mt -102.67 75.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.672 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 CA--C 1.538 0.495 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.982 -176.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 12' ' ' LEU . 19.8 pt -97.96 124.58 51.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.475 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 28.0 m -147.28 144.03 28.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -175.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 17.2 t -63.83 129.49 93.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.33 2.94 2.4 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.035 2.49 . . . . 0.0 113.836 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.91 1.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 109.839 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.783 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 57.7 m -132.37 81.37 1.95 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.86 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.5 88.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.827 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -149.51 -87.42 0.08 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.767 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 175.23 172.87 0.26 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.459 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HG ' ' HA ' ' A' ' 4' ' ' THR . 82.7 mt -119.68 129.4 54.53 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -73.11 111.75 8.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -85.56 111.67 20.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.407 0.622 . . . . 0.0 110.408 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.87 7.92 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.094 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.41 -50.35 3.28 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.525 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.55 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 11.7 t70 -94.78 -43.21 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 0.0 110.678 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.415 HG21 ' HB3' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -126.05 164.58 20.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.522 -176.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -113.58 136.52 52.73 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 56.2 t60 -120.27 139.85 52.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.526 0.203 . . . . 0.0 111.045 -175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 t -100.41 135.03 42.48 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.76 -18.5 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -85.33 -48.22 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 0.0 110.421 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.74 139.87 52.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.57 34.11 0.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.783 -172.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -94.16 128.45 40.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 18' ' ' THR . 28.4 m-20 -100.07 132.4 45.46 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HB3' HG23 ' A' ' 70' ' ' ILE . 96.3 m-85 -98.52 116.22 30.28 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -176.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -66.37 119.88 12.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 19' ' ' ALA . 96.5 mt -99.97 124.66 45.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.83 0.348 . . . . 0.0 110.263 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -111.73 120.59 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 110.393 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -78.02 94.81 4.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.949 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 38' ' ' ARG . 14.3 tp -94.18 148.23 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.37 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 61' ' ' ILE . 42.0 t -96.48 116.49 66.16 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 37' ' ' CYS . 31.8 Cg_exo -59.54 140.38 93.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.496 2.797 . . . . 0.0 111.75 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 26.6 t70 75.12 -31.64 0.21 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.752 0.658 . . . . 0.0 110.833 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' H ' ' C ' ' A' ' 35' ' ' PRO . 28.9 t -78.72 -80.39 0.12 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.537 177.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 55.6 ttp180 53.38 22.21 2.71 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.586 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.808 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.1 mt-30 -79.87 176.59 3.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 19.1 Cg_endo -61.77 83.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 4.8 mp -62.32 126.98 29.22 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.619 ' NE2' ' HA ' ' A' ' 54' ' ' CYS . 1.7 mp0 -64.11 124.7 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -76.28 92.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.91 103.97 3.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.63 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -97.56 123.09 41.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.148 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.65 171.37 8.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.472 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 p -76.89 94.1 3.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.023 0.44 . . . . 0.0 110.63 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.17 -39.95 1.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.611 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 17' ' ' ASP . . . -159.16 168.78 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.675 0.238 . . . . 0.0 110.995 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.47 169.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.674 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -149.7 131.45 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 48.4 m-85 -93.07 116.42 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.066 0.46 . . . . 0.0 110.019 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' HE2' HD22 ' A' ' 60' ' ' LEU . 12.1 t80 -158.42 113.63 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -173.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.8 p -80.26 88.65 5.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.402 0.62 . . . . 0.0 110.868 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.562 ' HA ' HD23 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -74.69 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.637 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.68 -57.89 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -73.61 137.88 24.15 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.535 176.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 66.43 -76.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.399 0.68 . . . . 0.0 111.497 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 155.56 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.824 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 ' HE2' ' A' ' 53' ' ' PHE . 16.9 mt -48.95 155.65 0.59 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.323 -174.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -127.75 132.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.391 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -58.68 127.14 30.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 68.5 mttm -62.38 -15.25 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 111.365 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -78.47 -11.17 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 21.3 mmt180 -118.21 0.85 11.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 32' ' ' ALA . 50.7 t -71.19 132.57 33.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -98.09 96.51 8.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.145 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -75.97 107.25 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.022 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.67 147.56 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.309 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' A' ' 28' ' ' PHE . 60.9 mt -83.52 112.22 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.633 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.17 0.509 . . . . 0.0 111.283 -177.368 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.054 0.455 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 30' ' ' LEU . 25.9 mt -71.27 -54.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.899 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.4 p 60.68 159.68 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.21 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 37.2 t -101.38 135.61 19.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.914 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.93 -34.89 87.92 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.799 2.333 . . . . 0.0 112.838 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.04 23.54 5.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 95.6 m -148.99 -17.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t60 57.0 -97.95 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -166.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 53.97 -162.29 0.12 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.425 0.453 . . . . 0.0 110.612 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.1 145.88 47.74 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 168.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.514 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 40.1 mt -102.7 121.91 43.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.837 0.351 . . . . 0.0 110.085 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.94 115.1 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.388 0.613 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 74.7 ttt180 -81.72 125.2 30.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.652 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.03 -5.09 51.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.164 0.507 . . . . 0.0 110.173 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 136.29 -75.99 0.39 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.541 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.94 -38.95 16.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.558 0.694 . . . . 0.0 109.3 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -118.88 152.65 35.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.308 -176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -111.33 127.41 55.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.087 173.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -99.38 119.82 38.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.422 -172.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.49 124.6 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.49 -38.51 40.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -59.91 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 p -103.77 8.9 37.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.524 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.14 77.37 0.22 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.12 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.66 126.41 30.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -178.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.72 108.41 19.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 110.121 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.92 112.81 25.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -74.91 135.4 41.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 3' ' ' ILE . 6.3 mp -102.08 156.96 17.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.216 0.531 . . . . 0.0 110.821 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -131.75 158.2 41.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.463 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -96.35 113.59 25.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.569 0.223 . . . . 0.0 110.578 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD23 ' HG3' ' A' ' 38' ' ' ARG . 10.4 mp -118.09 153.28 34.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.82 146.35 31.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.148 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.65 -27.38 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.378 2.052 . . . . 0.0 111.721 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.555 ' HB2' ' HE1' ' A' ' 58' ' ' HIS . 4.3 m-20 -83.96 -31.06 25.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.484 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 120.23 9.3 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.841 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG3' HD23 ' A' ' 33' ' ' LEU . 80.0 ttt180 -79.26 84.7 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 172.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 51.1 mt-30 -129.78 174.28 4.77 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.441 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 59.6 Cg_endo -76.13 14.32 1.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.61 1.54 . . . . 0.0 110.252 164.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp 59.03 -89.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.786 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.64 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.2 tp60 -159.82 110.52 1.93 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 t -70.01 111.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.31 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 53' ' ' PHE . 52.4 mt -104.72 98.07 7.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.371 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HA ' HG12 ' A' ' 50' ' ' VAL . 25.7 mtpp -89.29 92.59 9.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.36 170.91 8.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.033 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 t -85.31 93.7 8.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.87 -26.76 4.45 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.196 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.77 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 45' ' ' LYS . 8.4 m -120.34 113.56 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.221 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.79 150.53 28.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.159 0.504 . . . . 0.0 111.051 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 85.8 m-85 -108.86 113.89 27.2 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 6.5 t80 -153.46 110.23 3.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.931 -167.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 72.1 m -70.76 88.82 0.73 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.404 HE21 ' CD1' ' A' ' 44' ' ' LEU . 70.0 mt-30 -67.26 -69.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.753 0.311 . . . . 0.0 111.448 -177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -104.41 -29.14 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.946 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 58' ' ' HIS . . . -81.68 35.22 2.49 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.141 -0.552 . . . . 0.0 113.22 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 3.0 t-160 169.9 -66.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.3 133.15 2.79 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -61.07 96.86 0.05 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 111.102 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mm -76.62 131.9 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.398 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -57.42 127.37 31.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HD2' ' HZ ' ' A' ' 68' ' ' PHE . 50.0 mtmt -64.2 -15.88 60.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -175.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.38 -31.25 67.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.728 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -107.78 0.29 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 75.6 t -78.94 141.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.11 92.22 7.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HZ ' ' HD2' ' A' ' 63' ' ' LYS . 94.3 m-85 -80.93 97.32 7.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -130.48 164.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.963 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.09 128.26 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -176.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 60.22 -173.8 0.12 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.344 0.592 . . . . 0.0 111.928 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -131.77 114.01 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.23 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.1 p -138.21 154.64 49.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.926 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 37.1 t -65.82 137.08 95.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.803 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 22.6 Cg_exo -66.17 -3.82 9.29 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.973 2.448 . . . . 0.0 112.149 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.9 t -110.11 -61.24 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.02 95.19 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.453 0.644 . . . . 0.0 110.876 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -70.02 84.94 0.52 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.454 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -116.89 -83.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.13 124.74 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.96 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.1 130.59 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -95.34 134.19 38.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 0.0 110.589 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 16' ' ' GLY . 13.5 tpt180 -99.07 128.14 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.225 -177.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -108.1 -0.03 21.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.905 0.859 . . . . 0.0 109.488 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 98.6 135.23 8.75 Favored Glycine 0 N--CA 1.442 -0.926 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -171.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 6.3 t70 69.05 -60.05 0.46 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.966 0.383 . . . . 0.0 111.04 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG21 ' HB3' ' A' ' 27' ' ' ASP . 59.0 m -120.69 145.05 47.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.015 0.436 . . . . 0.0 111.279 -174.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.16 133.29 53.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.5 130.85 39.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.124 0.488 . . . . 0.0 111.11 -174.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 42.7 t -89.86 117.91 29.05 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.339 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -51.26 -96.33 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.893 0.877 . . . . 0.0 112.196 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 44.0 p -62.65 142.86 57.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' THR . 73.0 m 102.4 -30.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 O-C-N 125.63 1.831 . . . . 0.0 110.059 -173.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 59.84 31.75 20.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.324 0.583 . . . . 0.0 111.119 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -101.51 143.11 31.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.364 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' HB3' HG21 ' A' ' 18' ' ' THR . 12.5 m-20 -111.06 125.04 53.33 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.539 ' HE2' ' HB2' ' A' ' 21' ' ' CYS . 97.6 m-85 -102.32 105.92 16.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -83.46 125.59 31.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.932 0.396 . . . . 0.0 110.164 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.614 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.1 mp -104.26 137.46 42.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.024 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -111.14 142.31 43.49 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -85.85 107.93 17.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.545 -177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.487 HD23 ' HG3' ' A' ' 38' ' ' ARG . 9.4 mp -112.63 158.46 19.97 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.934 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.2 m -96.93 151.57 37.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -72.13 -18.99 26.73 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.533 2.155 . . . . 0.0 112.177 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.06 -43.29 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.139 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -108.25 97.99 7.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.35 0.595 . . . . 0.0 110.092 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HG3' HD23 ' A' ' 33' ' ' LEU . 10.3 ttm180 -83.76 82.49 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.356 0.598 . . . . 0.0 110.654 -175.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' A' ' 41' ' ' LEU . 27.5 mt-30 -144.07 175.32 2.88 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.856 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.487 ' O ' ' HB3' ' A' ' 52' ' ' TYR . 23.7 Cg_exo -66.71 5.38 0.77 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.222 1.948 . . . . 0.0 111.544 168.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 50.8 mt 63.71 -84.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.845 0.858 . . . . 0.0 111.467 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -162.01 128.7 3.75 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' HG3' ' A' ' 45' ' ' LYS . 51.0 t -83.38 102.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.199 0.523 . . . . 0.0 111.368 -171.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 53' ' ' PHE . 31.2 mt -94.06 119.46 32.96 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 49' ' ' ALA . 30.8 mtpp -120.86 137.39 54.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.023 0.44 . . . . 0.0 110.905 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.26 114.48 8.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.4 m 58.6 28.55 17.27 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.56 -38.76 3.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.305 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -59.69 148.66 33.16 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.578 0.228 . . . . 0.0 110.645 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.65 139.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.141 0.496 . . . . 0.0 111.504 -174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -136.88 140.19 42.18 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.638 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 75.9 m-85 -99.59 109.31 21.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.251 0.548 . . . . 0.0 109.833 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 21.4 t80 -146.04 106.98 4.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.058 -171.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 20.5 p -78.42 91.74 4.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.655 0.264 . . . . 0.0 110.59 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -69.54 -84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.426 -176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -92.92 -17.89 23.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.18 0.514 . . . . 0.0 110.285 -175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.83 -4.99 63.46 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.945 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.0 t-80 -165.81 -62.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.0 138.05 2.84 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.5 pt? -73.88 156.8 37.32 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.08 0.518 . . . . 0.0 111.624 -173.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' HB ' HG22 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -128.12 151.43 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.9 t -66.57 133.15 49.73 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 166.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 29.0 mtpp -66.44 -7.93 22.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.171 0.51 . . . . 0.0 110.82 -175.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -78.61 -16.7 57.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.311 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -121.59 10.29 10.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.212 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.2 t -84.36 139.79 17.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -85.46 95.31 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 110.519 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.93 100.06 11.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.981 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 p -105.23 142.41 18.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.614 HG12 ' HG ' ' A' ' 30' ' ' LEU . 59.5 mt -80.26 97.12 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.307 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -117.22 89.55 3.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.268 0.556 . . . . 0.0 110.965 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -109.62 7.45 24.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.681 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' HG3' ' H ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -78.91 158.91 27.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.478 -178.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.12 107.01 6.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.029 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -3.89 24.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.596 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -69.63 -81.06 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 40.7 t-80 -113.16 78.84 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.224 -0.59 . . . . 0.0 111.89 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 4.4 t60 173.3 -45.31 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 170.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -71.51 83.55 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 172.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 p-80 -98.45 152.64 19.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.255 0.55 . . . . 0.0 111.732 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 6.9 p80 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.184 -176.652 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.576 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.45 150.16 23.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.007 0.432 . . . . 0.0 111.496 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 3' ' ' ILE . 4.1 mp -80.78 102.43 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 174.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.0 m -77.79 121.75 24.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.265 -176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.9 t -67.68 125.85 91.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.735 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.92 -24.04 46.48 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.532 2.155 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 t -84.51 -65.22 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.197 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 25.8 p -83.86 -5.81 59.29 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.482 -175.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.9 t60 53.76 50.72 16.4 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.628 0.728 . . . . 0.0 110.252 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -139.24 159.88 41.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.809 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.52 124.41 23.51 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 123.557 0.535 . . . . 0.0 110.249 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 5' ' ' CYS . 82.3 mt -72.35 153.07 41.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.997 0.427 . . . . 0.0 110.593 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.09 105.38 16.09 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.476 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 8.0 ppt_? -84.93 137.01 33.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.356 0.598 . . . . 0.0 111.612 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -97.81 -27.99 14.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.443 -0.798 . . . . 0.0 108.922 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.93 -80.02 0.21 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.851 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -82.87 -14.52 54.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.357 0.598 . . . . 0.0 110.265 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.5 m -129.9 143.94 51.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.3 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.2 108.22 17.81 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 172.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -87.13 121.89 30.2 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.032 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.08 125.8 29.88 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.796 0.808 . . . . 0.0 110.393 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -5.43 40.99 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.943 -1.48 . . . . 0.0 112.467 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -56.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.464 -0.495 . . . . 0.0 111.89 -173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 8' ' ' CYS . 14.1 m -78.63 -2.0 36.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.141 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.22 21.24 10.61 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.807 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -103.64 145.26 30.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.734 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -109.61 129.47 55.58 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 83.2 m-85 -108.91 154.16 22.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 -178.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.659 ' HB2' ' HB3' ' A' ' 72' ' ' ASP . 18.6 m -87.39 128.28 35.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.649 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 19' ' ' ALA . 42.0 mt -113.54 143.4 44.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.948 0.404 . . . . 0.0 110.786 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -135.99 131.75 35.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.633 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.38 98.52 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.5 mt -98.62 152.88 19.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.131 0.491 . . . . 0.0 111.069 -177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 49.2 t -96.74 133.39 24.54 Favored Pre-proline 0 C--N 1.32 -0.681 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -45.98 -41.45 20.76 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.89 3.06 . . . . 0.0 113.039 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.602 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 11.1 p-10 -85.99 -99.15 0.07 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.665 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 6.5 p -54.42 108.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 123.352 0.661 . . . . 0.0 111.625 171.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -105.03 20.44 18.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.48 . . . . 0.0 110.347 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.699 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 23.5 mt-30 -128.45 -62.81 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.13 -173.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 93.8 Cg_endo -81.1 40.66 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.337 2.025 . . . . 0.0 114.162 -168.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.07 136.42 35.21 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.536 HE22 ' HB3' ' A' ' 55' ' ' GLN . 22.4 mt-30 -71.2 137.6 48.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.131 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.71 89.04 2.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.32 96.91 6.1 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.351 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -91.07 103.43 16.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.843 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.4 -175.3 3.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m -68.83 -34.63 75.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.89 -65.4 2.88 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.108 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.16 -173.55 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.642 0.258 . . . . 0.0 110.425 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.0 m -102.99 101.08 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.432 0.634 . . . . 0.0 109.781 174.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -95.39 122.13 37.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.402 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 50.2 m-85 -86.35 96.65 10.06 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.0 t80 -144.66 123.14 12.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.588 -160.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 61.6 m -72.34 88.66 1.19 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.536 ' HB3' HE22 ' A' ' 42' ' ' GLN . 56.1 tt0 -88.68 -21.79 23.73 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.4 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -134.81 169.91 16.64 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.387 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.94 -68.66 3.03 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.385 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -95.27 -76.19 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.338 . . . . 0.0 110.239 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.71 144.46 3.92 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -61.42 106.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.544 0.687 . . . . 0.0 111.513 -174.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mm -85.1 131.69 33.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.147 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.3 t -54.26 143.49 22.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.679 0.276 . . . . 0.0 110.533 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 66' ' ' VAL . 89.1 mttt -70.58 -5.36 28.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.211 0.529 . . . . 0.0 110.731 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -90.31 -17.26 27.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.85 173.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' ARG . 12.6 mmm180 -106.34 -21.16 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.948 -177.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 63' ' ' LYS . 29.4 m -65.54 140.14 20.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -92.81 93.4 8.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.986 0.422 . . . . 0.0 111.24 -174.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -74.52 97.17 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 171.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.81 163.55 33.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 -176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.9 mt -85.3 80.31 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.286 175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -87.38 -20.65 26.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.389 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.659 ' HB3' ' HB2' ' A' ' 29' ' ' SER . 18.3 t70 -93.33 101.96 14.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.684 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -142.17 171.21 14.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.811 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 74' ' ' LEU . 5.7 mp -113.05 109.61 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.019 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.463 ' OE2' ' HA ' ' A' ' 78' ' ' HIS . 3.8 mm-40 -104.11 170.35 7.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.095 0.474 . . . . 0.0 111.501 -179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 178.33 -31.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.8 t60 175.77 37.6 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' HA ' ' OE2' ' A' ' 75' ' ' GLU . 4.7 t-160 62.25 -98.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.118 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -179.95 -76.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 177.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -167.71 126.33 1.27 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.721 178.189 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.701 ' HG3' ' HG3' ' A' ' 2' ' ' GLU . 15.2 tpt . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.868 0.366 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.701 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 41.2 mt-10 -141.65 -160.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.444 HG22 HD12 ' A' ' 12' ' ' LEU . 57.5 mt -68.97 -58.78 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m 69.61 125.9 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.132 -1.394 . . . . 0.0 113.199 168.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 19.7 t -76.29 119.37 77.01 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 173.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -50.48 -46.95 26.76 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.419 2.746 . . . . 0.0 113.458 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.9 m -86.8 15.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.437 . . . . 0.0 111.834 -176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 71.9 m -127.9 -34.89 2.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.62 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.6 m170 63.83 25.44 14.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.409 0.623 . . . . 0.0 109.891 -173.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.48 160.69 31.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.758 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.08 149.4 12.15 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 5' ' ' CYS . 22.9 mt -111.35 113.47 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.191 172.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.19 106.31 4.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.312 0.577 . . . . 0.0 110.792 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 38.5 ttp-105 -76.95 113.53 14.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.931 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 16.59 26.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.201 0.524 . . . . 0.0 110.144 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.93 -82.81 1.1 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.069 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -29.45 69.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.536 0.684 . . . . 0.0 110.698 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -145.09 158.88 43.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.723 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -111.03 114.47 27.79 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -97.26 120.3 37.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.622 -173.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 24' ' ' CYS . 11.9 t -79.28 144.8 33.95 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 109.952 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -34.59 17.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.989 0.9 . . . . 0.0 109.467 176.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 19.5 p -94.97 85.1 4.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.94 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.519 ' SG ' ' O ' ' A' ' 23' ' ' THR . 12.9 p 98.18 124.43 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.29 1.436 . . . . 0.0 108.745 -167.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.52 40.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.871 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -91.39 124.42 35.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.695 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -99.73 133.98 43.29 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.371 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' HB3' HG23 ' A' ' 70' ' ' ILE . 95.0 m-85 -110.1 102.87 11.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.604 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.726 ' HB2' ' HA ' ' A' ' 72' ' ' ASP . 44.4 m -57.19 124.54 19.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.902 0.382 . . . . 0.0 110.58 176.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 14' ' ' ARG . 97.2 mt -101.97 128.69 48.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.119 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.866 HE22 HD11 ' A' ' 74' ' ' LEU . 85.8 mt-30 -119.39 127.05 52.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.02 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.84 116.86 23.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.922 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.94 162.77 16.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.126 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 88.0 m -99.01 161.36 25.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-O 120.773 0.321 . . . . 0.0 110.598 176.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.59 -35.64 89.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.556 2.171 . . . . 0.0 111.625 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.84 -27.58 14.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.52 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 34' ' ' CYS . 25.6 m -100.94 101.61 12.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.664 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.62 -2.84 58.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.705 0.764 . . . . 0.0 108.99 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -88.26 142.93 31.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.601 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.38 120.99 7.02 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.675 2.25 . . . . 0.0 111.602 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 11.6 mt -70.21 -173.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.084 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.49 132.86 42.25 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 50' ' ' VAL . 89.3 t -76.64 104.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.697 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' HB3' ' A' ' 53' ' ' PHE . 37.9 mt -105.64 153.65 21.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.427 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -108.81 124.2 50.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.045 0.45 . . . . 0.0 111.581 -175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.44 95.51 4.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.428 173.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m 64.62 -87.52 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.273 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.57 6.1 4.52 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.42 145.31 26.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.534 0.206 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.739 HG13 HG13 ' A' ' 43' ' ' VAL . 71.8 t -90.41 112.15 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.0 118.06 35.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.032 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 88.7 m-85 -88.31 114.11 24.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.26 0.552 . . . . 0.0 109.901 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 44' ' ' LEU . 31.1 t80 -150.2 97.33 2.54 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 41' ' ' LEU . 3.1 p -78.56 88.58 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.274 0.559 . . . . 0.0 112.271 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -69.35 -22.72 63.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.668 174.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.93 126.34 52.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.122 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.25 16.09 63.29 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.202 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -170.39 -70.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 55' ' ' GLN . . . 135.21 -97.17 0.28 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.096 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 pp -153.46 149.49 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 110.939 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.7 mp -128.94 138.8 53.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.3 t -61.12 125.99 25.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.545 ' HD3' HG21 ' A' ' 66' ' ' VAL . 25.3 mmtp -65.33 -10.13 30.31 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -85.54 -21.01 28.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.161 0.505 . . . . 0.0 110.388 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -112.16 12.18 20.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.914 -175.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.545 HG21 ' HD3' ' A' ' 63' ' ' LYS . 98.2 t -77.74 137.89 21.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.857 177.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -88.3 67.5 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 31' ' ' GLN . 7.8 p90 -84.59 118.69 24.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.3 m -124.6 174.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.203 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 28' ' ' PHE . 84.3 mt -82.1 111.95 19.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.64 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 t -139.05 81.22 1.83 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.726 ' HA ' ' HB2' ' A' ' 29' ' ' SER . 12.1 p-10 -93.87 -16.88 23.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.419 -173.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -124.41 92.01 3.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.846 0.355 . . . . 0.0 111.613 -177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.866 HD11 HE22 ' A' ' 31' ' ' GLN . 77.8 mt -90.1 -171.38 3.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 170.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.12 -33.27 75.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 30.4 m80 68.77 8.8 6.99 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.42 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 51.4 77.21 0.14 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.64 0.587 . . . . 0.0 109.985 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.1 m170 -66.65 93.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.455 0.645 . . . . 0.0 110.757 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -96.05 120.75 36.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.107 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 81' ' ' HIS . 14.0 m170 -87.36 119.38 27.57 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 173.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 55.3 m-70 . . . . . 0 C--O 1.249 1.039 0 O-C-N 123.957 0.786 . . . . 0.0 109.738 -171.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -81.39 136.73 35.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.506 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 12' ' ' LEU . 22.2 mt -68.19 109.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.163 -174.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 p -131.34 144.07 50.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.823 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.584 ' HB2' HD21 ' A' ' 12' ' ' LEU . 36.8 t -79.65 135.35 56.46 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 57.1 Cg_endo -70.7 -5.33 16.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.189 2.593 . . . . 0.0 113.857 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.5 p -115.88 -48.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.873 0.368 . . . . 0.0 110.294 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -105.66 94.98 5.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -60.27 87.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.475 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -147.6 156.02 42.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.56 131.39 44.61 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 5' ' ' CYS . 28.3 mt -88.78 155.9 19.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.509 . . . . 0.0 111.435 -175.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -90.46 96.08 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.321 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.4 ttt-85 -72.31 135.67 46.01 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.301 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -138.88 90.6 2.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.688 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.0 -114.62 6.96 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 115.647 -0.706 . . . . 0.0 113.07 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -77.12 -24.6 51.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.407 0.622 . . . . 0.0 110.808 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 p -108.4 151.23 26.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.317 -173.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ASP . . . -112.45 109.23 18.7 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.59 172.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -83.07 119.91 25.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.593 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' HA ' HD22 ' A' ' 12' ' ' LEU . 21.8 t -78.88 135.6 37.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.99 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -64.4 -89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.747 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.525 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 63.8 p -67.96 146.19 53.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 169.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 23' ' ' THR . 19.0 p 54.16 93.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.134 0.896 . . . . 0.0 110.276 -169.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.31 100.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.817 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.0 mttp -142.86 119.22 10.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.461 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' HA ' ' O ' ' A' ' 19' ' ' ALA . 4.2 p-10 -103.85 126.02 50.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.662 . . . . 0.0 110.048 173.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' HB3' HG23 ' A' ' 70' ' ' ILE . 46.6 m-85 -106.62 134.98 48.93 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.567 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -74.27 125.29 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 19' ' ' ALA . 83.3 mt -100.1 120.31 39.66 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.678 -176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 73.9 mt-30 -111.58 146.61 37.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.914 178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -88.3 120.78 29.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.34 178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.3 mm? -106.52 140.71 38.98 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.663 ' SG ' HD11 ' A' ' 41' ' ' LEU . 28.4 p -101.13 138.74 20.05 Favored Pre-proline 0 N--CA 1.448 -0.552 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.59 -25.31 74.17 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.833 3.022 . . . . 0.0 114.036 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.78 30.58 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.231 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 90.3 m -91.01 -50.03 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.163 -0.336 . . . . 0.0 111.479 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 60.79 21.26 11.36 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.349 0.595 . . . . 0.0 110.801 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -131.28 157.62 77.6 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -43.66 110.57 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.471 2.781 . . . . 0.0 113.811 -174.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.663 HD11 ' SG ' ' A' ' 34' ' ' CYS . 10.0 mp -73.12 148.74 43.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 172.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 96.4 mt-30 -60.27 116.54 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 111.21 -175.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' CE2' ' A' ' 52' ' ' TYR . 2.6 p -71.2 109.58 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.591 0.71 . . . . 0.0 110.536 177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 55' ' ' GLN . 59.8 mt -121.25 110.66 16.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.31 -174.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -92.6 89.56 6.76 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.48 85.83 5.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.4 -175.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.8 m 66.3 -83.57 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.654 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.5 7.67 12.31 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.247 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.39 138.9 54.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.0 t -100.98 114.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' OD2' ' HD2' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -121.77 160.05 25.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.178 -176.402 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.617 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 53.1 m-85 -140.18 97.49 3.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.866 176.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HA ' HD23 ' A' ' 41' ' ' LEU . 47.7 p90 -155.51 151.36 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.103 0.478 . . . . 0.0 111.57 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 58' ' ' HIS . 9.0 m -72.16 88.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.047 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.567 ' HB2' HD11 ' A' ' 44' ' ' LEU . 63.3 tt0 -61.03 -45.91 92.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.567 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -123.45 149.29 45.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.965 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.04 -25.89 26.67 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.054 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 14.9 t-160 -138.46 -63.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.08 152.93 7.24 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.84 135.69 51.53 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.203 0.525 . . . . 0.0 110.916 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -103.83 140.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.462 ' HB2' ' HB3' ' A' ' 65' ' ' ARG . 7.1 m -50.06 124.45 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.515 0.509 . . . . 0.0 110.839 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 85.4 tttt -64.26 -25.01 67.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.921 -175.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.97 1.53 52.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.175 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 62' ' ' SER . 72.1 ttt180 -116.02 -23.54 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.551 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 27.0 m -64.49 156.73 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.703 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -108.65 105.42 15.02 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.776 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 26.0 m-85 -81.27 110.21 16.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.536 177.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.16 174.59 11.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 28' ' ' PHE . 78.0 mt -76.79 114.26 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.882 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.5 m -138.12 125.5 21.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.14 -177.56 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -133.47 2.33 3.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.661 0.267 . . . . 0.0 110.577 -175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.6 mt 63.4 26.49 14.96 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.58 0.705 . . . . 0.0 109.576 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.61 105.84 16.41 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.013 -0.994 . . . . 0.0 108.388 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -87.54 19.97 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.276 -170.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 40.5 t60 75.75 140.98 0.07 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.251 0.62 . . . . 0.0 111.516 172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 t60 67.2 85.9 0.14 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.934 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.02 85.9 2.4 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.203 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -111.33 -26.29 9.21 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 168.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 37.5 m80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 117.924 -1.036 . . . . 0.0 108.622 170.42 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -64.32 124.38 21.59 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.507 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.3 pt -69.06 107.73 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 11' ' ' ALA . 1.5 m -128.54 134.74 48.73 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.688 -173.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.78 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -69.82 132.55 88.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 174.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 28.2 Cg_exo -61.72 -73.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.109 2.539 . . . . 0.0 113.668 -172.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.26 -28.56 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 -176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.78 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.2 OUTLIER -96.63 36.99 1.31 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.661 -179.349 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -42.98 96.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.445 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' HG21 ' A' ' 23' ' ' THR . 16.3 t-80 -178.81 65.1 0.01 OUTLIER 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.687 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . 57.01 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 5' ' ' CYS . 53.0 mt -111.26 164.59 12.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.423 173.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 42.5 tt0 -118.08 110.75 18.01 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 176.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 14' ' ' ARG . 18.9 ptt85 -77.91 128.54 34.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 0.0 111.19 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -84.54 -16.03 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.066 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.49 -73.68 0.4 Allowed Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.43 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -88.95 -21.89 23.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.509 . . . . 0.0 110.149 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 p -127.22 165.14 20.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.58 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.98 151.73 27.61 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -142.16 135.1 28.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.864 0.364 . . . . 0.0 111.008 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.687 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 36.3 m -79.33 112.89 17.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.472 . . . . 0.0 109.803 172.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 13' ' ' GLU . 4.6 pm0 -86.7 -14.02 43.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.157 0.98 . . . . 0.0 109.449 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.573 HG21 ' HB3' ' A' ' 10' ' ' HIS . 11.9 m -93.1 -10.34 36.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.814 -177.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -153.61 -171.57 3.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.85 -167.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.63 68.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 110.55 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 28.5 mtpp -137.96 135.1 35.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.11 -178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -120.79 136.03 55.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.545 ' HB3' HG23 ' A' ' 70' ' ' ILE . 61.3 m-85 -116.86 125.36 51.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.989 0.423 . . . . 0.0 111.623 -174.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -76.28 122.26 24.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.673 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.9 mt -100.32 125.43 46.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.156 0.503 . . . . 0.0 111.096 -176.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -111.62 99.71 8.39 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.161 174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.36 98.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.913 177.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.4 tp -105.44 148.16 27.47 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.199 0.523 . . . . 0.0 110.987 -175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.681 ' SG ' HD11 ' A' ' 41' ' ' LEU . 11.0 p -96.75 110.03 51.39 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.069 176.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 51.4 Cg_exo -55.05 -36.27 92.37 Favored 'Trans proline' 0 N--CA 1.473 0.29 0 C-N-CA 123.941 3.094 . . . . 0.0 113.588 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.58 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 27.6 p -84.64 84.45 7.67 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 176.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -81.97 89.79 6.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.62 0.724 . . . . 0.0 111.194 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.711 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.8 mt-30 -148.08 158.64 41.47 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -46.36 117.23 1.88 Allowed 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.681 HD11 ' SG ' ' A' ' 34' ' ' CYS . 8.8 mp -76.35 176.14 8.45 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.79 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -86.56 122.77 30.95 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.7 t -78.43 99.8 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.633 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -89.01 89.72 8.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.206 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.538 ' HB3' HG12 ' A' ' 50' ' ' VAL . 11.5 pttt -86.09 100.34 12.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.0 83.61 8.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.921 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 m 63.96 24.27 13.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.565 175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 149.92 -65.47 0.38 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.945 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' LYS . . . -81.77 145.81 30.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.547 0.213 . . . . 0.0 110.816 -176.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.538 HG12 ' HB3' ' A' ' 45' ' ' LYS . 35.8 m -97.17 148.9 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.087 0.47 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -144.48 130.31 19.26 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 54.1 m-85 -93.72 114.51 26.82 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -149.27 129.6 13.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.952 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 59.1 m -71.79 88.67 1.02 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -81.84 -50.39 9.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -107.67 -53.21 2.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.236 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 54' ' ' CYS . . . -91.85 169.25 32.26 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.103 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.711 ' CE1' ' HB2' ' A' ' 39' ' ' GLN . 11.9 m170 71.07 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.28 0.632 . . . . 0.0 111.248 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.495 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 148.05 120.22 1.13 Allowed Glycine 0 N--CA 1.442 -0.928 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.3 pt? -59.95 103.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 111.122 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.3 mm -83.44 132.93 30.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.1 m -49.85 136.69 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.4 0.438 . . . . 0.0 110.228 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' HG23 ' A' ' 66' ' ' VAL . 42.0 tttp -64.27 -19.17 65.22 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -171.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.13 -16.1 59.95 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.035 174.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -104.08 -4.38 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 63' ' ' LYS . 96.7 t -76.64 125.87 36.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.759 177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -94.35 100.96 12.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.314 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -72.86 100.2 2.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.647 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.99 126.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.7 mt -73.21 96.19 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 172.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.2 t -146.58 109.88 4.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -81.44 104.69 12.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 172.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -111.93 24.88 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.5 -173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.71 -30.69 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.765 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 5.08 39.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.945 -179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.1 m170 65.03 86.39 0.13 Allowed 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -167.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.68 106.51 0.41 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.54 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -132.61 115.63 15.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.037 -168.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -68.21 -61.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -157.52 -37.44 0.07 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.3 p80 . . . . . 0 C--O 1.245 0.84 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -107.33 136.77 46.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.994 -173.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.41 HD13 HD11 ' A' ' 30' ' ' LEU . 47.0 mt -73.6 113.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 63.8 p -116.86 137.67 52.04 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.733 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 40.9 t -66.68 131.97 94.06 Favored Pre-proline 0 C--O 1.238 0.474 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 170.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.48 -25.71 75.05 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.245 2.63 . . . . 0.0 113.559 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.1 p -101.21 -1.5 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.334 0.588 . . . . 0.0 110.76 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.733 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 58.5 m -112.12 -39.49 4.46 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -175.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.4 m80 60.15 20.33 9.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.696 0.76 . . . . 0.0 109.7 -170.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 25.4 m80 -107.02 145.72 31.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.368 179.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.64 131.15 41.35 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 123.305 0.378 . . . . 0.0 110.075 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.622 HD22 ' HA ' ' A' ' 21' ' ' CYS . 30.7 mt -85.13 142.1 29.73 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.461 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.22 124.38 25.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.096 0.474 . . . . 0.0 110.663 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' THR . 47.7 ttt180 -104.54 98.5 8.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.374 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -82.94 -87.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.89 57.63 0.92 Allowed Glycine 0 CA--C 1.508 -0.388 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 14' ' ' ARG . 2.7 t0 61.47 17.53 8.54 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 122.055 0.931 . . . . 0.0 110.41 -173.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 6.4 m -108.25 140.54 41.34 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 174.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' ' 12' ' ' LEU . . . -111.23 105.76 14.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.351 0.596 . . . . 0.0 111.791 -170.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -83.47 126.2 32.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.701 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.622 ' HA ' HD22 ' A' ' 12' ' ' LEU . 41.8 t -78.98 132.74 36.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.959 0.409 . . . . 0.0 110.769 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -38.36 88.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.397 -0.82 . . . . 0.0 113.041 -174.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -108.99 -33.07 7.02 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -83.39 -9.39 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.509 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 58.23 31.54 20.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.548 0.69 . . . . 0.0 110.666 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -126.05 119.44 27.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.675 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -100.16 143.18 30.66 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.283 0.563 . . . . 0.0 110.459 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -105.39 127.91 53.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.678 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -83.38 120.62 26.11 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD11 HD13 ' A' ' 3' ' ' ILE . 87.7 mt -100.44 147.33 25.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.955 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -117.08 124.35 49.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.296 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.91 118.05 15.38 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.371 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 33' ' ' LEU . 13.6 tp -126.99 162.83 25.08 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 64.9 m -96.59 125.03 48.64 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -175.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.38 -17.3 27.29 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 121.969 1.78 . . . . 0.0 110.928 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 34' ' ' CYS . 6.0 p-10 -91.59 -16.85 26.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.766 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 2.3 p -164.8 91.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.484 -178.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -80.87 76.14 7.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.396 0.617 . . . . 0.0 111.922 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' HD23 ' A' ' 41' ' ' LEU . 81.1 mm-40 -141.99 165.85 25.19 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.2 123.51 10.21 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.173 1.915 . . . . 0.0 112.235 177.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 52' ' ' TYR . 9.9 mt -80.54 -179.62 7.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.286 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.41 116.77 23.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.8 t -76.77 103.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-O 121.206 0.526 . . . . 0.0 110.483 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.2 104.16 16.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -90.79 119.44 31.01 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.57 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.97 -94.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.882 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.1 m -129.14 -68.66 0.73 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.47 30.23 6.31 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -161.19 161.39 30.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.106 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.62 143.21 34.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.115 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -131.36 167.63 18.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.672 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 93.7 m-85 -123.22 106.87 11.11 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -150.04 135.81 18.46 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.407 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.738 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 23.8 m -78.66 107.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.156 178.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -81.81 -51.38 8.19 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 169.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -148.47 144.85 27.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.328 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.76 44.21 7.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.876 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.738 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 3.2 t-80 -169.94 -65.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.068 0.434 . . . . 0.0 110.077 175.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.09 100.74 0.39 Allowed Glycine 0 C--O 1.24 0.527 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.63 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.54 150.14 36.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.167 0.508 . . . . 0.0 111.45 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.498 ' H ' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -128.78 162.99 34.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.088 -179.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 m -71.27 114.73 9.64 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 8.1 ptmm? -74.17 1.01 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -167.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.66 -24.54 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.212 0.53 . . . . 0.0 109.94 169.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 73.0 ttt180 -116.45 29.16 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.712 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 32' ' ' ALA . 42.4 t -66.95 143.58 15.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.39 83.09 6.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 84.2 m-85 -76.5 103.64 6.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.224 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -106.26 153.17 7.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.137 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.3 mt -68.24 123.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -70.76 97.93 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 0.0 110.954 -173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -81.13 150.78 28.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.449 174.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -92.81 4.09 54.46 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.205 0.526 . . . . 0.0 110.182 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.8 mt -83.79 74.04 10.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.692 175.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.28 -56.75 4.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.502 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -82.59 106.97 14.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.154 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.18 -14.61 57.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.602 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -110.83 131.08 55.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.72 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -119.18 -77.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.721 0.296 . . . . 0.0 110.877 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -157.52 139.56 14.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.175 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.0 t60 . . . . . 0 C--O 1.247 0.933 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.642 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 120.633 0.254 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -95.19 158.9 15.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.595 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.4 mp -71.56 142.01 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.483 ' HB ' ' HA ' ' A' ' 9' ' ' HIS . 3.5 p -122.56 136.06 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.862 0.363 . . . . 0.0 111.36 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 52.0 t -64.72 139.63 97.82 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 49.9 Cg_exo -56.79 -30.98 86.92 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.229 2.619 . . . . 0.0 113.269 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.28 -54.8 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.488 0.661 . . . . 0.0 110.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -107.47 84.5 1.98 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.317 178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' HA ' ' HB ' ' A' ' 4' ' ' THR . 43.8 m80 -70.36 77.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 172.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -123.83 -71.42 0.72 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.255 -175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -174.92 141.47 0.6 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.503 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD12 HG22 ' A' ' 3' ' ' ILE . 49.7 mt -112.0 146.19 38.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.998 0.428 . . . . 0.0 110.652 177.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 17.7 mt-10 -87.64 87.78 7.48 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.746 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttp85 -84.72 104.98 15.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.008 0.432 . . . . 0.0 110.081 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.69 24.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.97 -97.01 0.59 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -105.01 14.01 30.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.512 0.672 . . . . 0.0 110.406 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 m -141.43 133.73 28.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.977 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.79 125.37 52.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.654 0.264 . . . . 0.0 111.017 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.47 ' HD2' ' OE2' ' A' ' 13' ' ' GLU . 59.5 t60 -102.06 140.59 36.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.47 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.4 t -114.42 113.07 24.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.1 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.25 -44.1 72.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.617 173.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 38.7 p -66.26 118.45 9.97 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 167.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 23' ' ' THR . 25.4 p 51.54 93.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.486 0.66 . . . . 0.0 110.59 -171.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.11 93.99 0.01 OUTLIER 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.193 -176.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -141.82 130.47 22.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.396 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -109.88 128.22 55.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.253 0.549 . . . . 0.0 109.837 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -107.02 128.3 54.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.78 -175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -78.95 122.97 26.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 88.0 mt -100.73 139.42 36.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.42 -175.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -111.43 124.67 52.75 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.78 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -68.85 112.94 5.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.661 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD22 HG11 ' A' ' 69' ' ' VAL . 1.9 tp -123.18 155.48 36.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 6.1 m -97.51 141.83 23.62 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.666 175.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.36 -25.68 35.79 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.446 2.097 . . . . 0.0 110.213 168.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 37' ' ' CYS . 2.9 p-10 -79.15 -84.33 0.09 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.806 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 34' ' ' CYS . 5.9 p -85.63 99.72 11.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.908 0.385 . . . . 0.0 110.411 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -83.64 70.93 10.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.757 0.789 . . . . 0.0 110.258 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.474 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 26.1 mt-30 -143.95 175.01 3.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.301 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 33.8 Cg_exo -61.66 3.37 0.39 Allowed 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 122.75 2.3 . . . . 0.0 114.017 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD22 ' SG ' ' A' ' 54' ' ' CYS . 52.1 mt 63.16 -89.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.137 0.575 . . . . 0.0 111.284 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.431 HE21 HD21 ' A' ' 44' ' ' LEU . 29.9 tt0 -164.31 119.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.46 118.18 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 53' ' ' PHE . 97.9 mt -122.42 139.21 54.11 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.679 177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 42.0 mtpt -96.6 148.91 22.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 176.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 47' ' ' CYS . . . 73.75 -154.46 0.06 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 124.127 0.892 . . . . 0.0 109.061 -170.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 46' ' ' ALA . 37.8 t 69.74 -59.98 0.49 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.131 0.491 . . . . 0.0 109.764 -173.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.3 -48.5 0.18 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.19 -80.28 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.2 t -121.43 98.43 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 169.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -104.58 159.03 16.08 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.773 -166.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.52 96.8 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 45.7 t80 -148.79 105.69 3.59 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.773 -165.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.46 ' SG ' HD22 ' A' ' 41' ' ' LEU . 9.7 p -89.42 88.54 7.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.976 -174.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -65.01 -43.57 92.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.975 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -110.58 173.19 6.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.545 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.12 -62.78 4.58 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -176.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -105.66 -75.03 0.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 170.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 152.9 135.93 2.27 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.437 -0.887 . . . . 0.0 111.071 -175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.8 pt? -62.81 133.42 54.72 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.254 0.55 . . . . 0.0 111.269 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' HB ' HG22 ' A' ' 66' ' ' VAL . 1.6 mp -113.04 133.22 59.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 66' ' ' VAL . 17.7 m -59.27 137.28 58.04 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 66' ' ' VAL . 38.7 mttt -69.15 2.78 2.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 112.183 -174.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 4.6 tmtm? -86.13 -20.78 28.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 172.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -112.33 -14.18 13.34 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.142 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 61' ' ' ILE . 91.8 t -65.56 139.58 21.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -84.23 100.24 11.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.959 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.528 ' HB3' ' HB3' ' A' ' 30' ' ' LEU . 96.5 m-85 -84.85 107.22 16.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.874 0.368 . . . . 0.0 110.734 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG11 HD22 ' A' ' 33' ' ' LEU . 13.6 p -102.1 143.26 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.474 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.15 136.14 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.886 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.48 ' HB3' HD21 ' A' ' 74' ' ' LEU . 17.2 m -73.25 80.84 1.32 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.085 0.469 . . . . 0.0 110.399 177.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -94.08 -47.32 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.114 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.99 97.53 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.863 0.363 . . . . 0.0 110.616 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 71' ' ' SER . 97.9 mt -118.99 93.3 4.04 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.468 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -67.47 -66.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.597 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -87.28 134.45 33.55 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -138.15 115.69 11.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 0.0 111.077 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -104.95 73.6 1.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.248 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -99.85 -28.38 13.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -100.87 169.02 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.879 178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 . . . . . 0 C--O 1.248 0.98 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 121.046 0.45 . . . . 0.0 110.155 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -114.53 157.97 22.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.259 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.4 pt -74.62 89.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.581 0.705 . . . . 0.0 111.112 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.6 m -123.73 126.25 46.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.833 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.53 ' HB2' HD21 ' A' ' 12' ' ' LEU . 40.9 t -75.35 120.63 82.54 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.83 1.39 7.09 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.882 2.388 . . . . 0.0 112.924 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 t -94.28 -31.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 110.701 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.64 -8.32 8.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.311 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.5 t60 61.15 32.83 19.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.409 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -114.24 143.72 44.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.72 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.05 140.08 52.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.009 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 5' ' ' CYS . 72.1 mt -98.53 163.4 12.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.122 0.487 . . . . 0.0 111.798 -172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -95.58 130.03 42.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.731 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -100.8 110.01 22.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.619 -176.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -121.61 87.38 2.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 0.0 109.866 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.22 -118.4 14.33 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.784 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.61 -10.08 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.0 m -125.98 135.39 51.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.26 0.552 . . . . 0.0 112.229 -173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.48 ' HB2' ' CD1' ' A' ' 30' ' ' LEU . . . -111.01 112.32 24.05 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.425 ' HD2' ' OE2' ' A' ' 22' ' ' GLU . 71.4 t60 -91.08 129.86 37.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -173.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.631 ' SG ' 'ZN ' ' A' ' 150' ' ' ' ZN' . 32.8 t -96.41 110.83 23.11 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.027 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' OE2' ' HD2' ' A' ' 20' ' ' HIS . 62.1 mm-40 -65.13 -74.81 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.201 0.313 . . . . 0.0 110.469 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -63.67 130.25 43.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.819 ' HG ' 'ZN ' ' A' ' 150' ' ' ' ZN' . 14.5 p 48.7 92.45 0.02 OUTLIER 'General case' 0 C--O 1.249 1.064 0 C-N-CA 123.304 0.642 . . . . 0.0 109.938 -166.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -60.96 116.89 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.11 -0.95 . . . . 0.0 112.075 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 mtpp -151.45 123.6 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.396 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.79 112.15 24.42 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.158 0.504 . . . . 0.0 110.149 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 26' ' ' LYS . 92.8 m-85 -99.35 121.34 40.97 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.664 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.01 121.68 17.89 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 25.7 mt -106.08 142.95 34.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.058 0.456 . . . . 0.0 111.544 -177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -137.6 133.5 34.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.489 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.657 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -72.15 120.76 18.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.683 -178.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 tp -119.4 159.33 24.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.033 0.444 . . . . 0.0 110.244 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.62 ' HB2' HD21 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -96.72 115.56 65.73 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.216 -175.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.569 ' HG3' ' HB2' ' A' ' 67' ' ' ASN . 7.8 Cg_exo -72.64 60.15 3.45 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.789 2.326 . . . . 0.0 109.592 171.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.509 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t0 -168.39 -78.79 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.561 -163.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -27.58 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' H ' ' HB3' ' A' ' 34' ' ' CYS . 54.3 ttt180 58.99 24.95 13.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.851 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.75 166.27 46.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 170.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.0 -0.2 3.08 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.35 2.033 . . . . 0.0 111.865 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' A' ' 34' ' ' CYS . 77.3 mt 64.68 -174.79 0.17 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.11 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -110.34 121.24 44.81 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.598 HG22 ' CE2' ' A' ' 52' ' ' TYR . 17.5 t -73.55 118.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.332 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.3 mt -111.5 97.82 7.01 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.406 0.622 . . . . 0.0 110.144 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.01 105.67 15.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.116 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -98.66 177.75 5.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.586 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.5 m -71.83 101.97 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.034 0.445 . . . . 0.0 110.303 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.41 77.34 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.491 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.651 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -150.81 151.62 32.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.62 106.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.995 0.426 . . . . 0.0 110.623 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -110.17 157.12 19.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.952 0.406 . . . . 0.0 110.376 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 27.8 m-85 -130.38 103.95 6.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.03 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' HA ' HD13 ' A' ' 41' ' ' LEU . 29.3 p90 -160.91 149.31 16.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.3 0.571 . . . . 0.0 111.264 174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.42 100.52 6.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.442 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 110.672 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -113.01 172.72 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.955 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.48 -57.22 5.03 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -174.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' A' ' 58' ' ' HIS . 2.9 t-160 -121.11 -73.12 0.66 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.0 162.64 10.06 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.597 -174.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.25 136.73 15.05 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.389 0.676 . . . . 0.0 112.395 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 61' ' ' ILE . 3.1 mp -112.17 140.36 32.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 171.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 m -53.86 116.15 2.39 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 66' ' ' VAL . 16.6 ptpt -64.73 -9.21 18.48 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -167.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 7.8 mtpm? -77.63 -31.81 52.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.886 0.374 . . . . 0.0 110.544 175.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -105.46 2.07 28.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.322 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 88.8 t -68.45 134.27 30.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.569 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 54.1 t30 -83.91 95.77 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.693 -173.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -71.91 107.29 4.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.568 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.12 159.33 2.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.343 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.21 113.32 22.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.21 0.529 . . . . 0.0 110.036 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.0 t -75.35 81.52 2.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.973 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.53 -58.34 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.552 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -149.61 97.35 2.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.361 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.21 151.2 26.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.99 3.58 11.95 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.149 0.499 . . . . 0.0 110.846 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -102.84 11.83 37.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.393 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -63.37 144.84 56.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.71 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -70.88 86.05 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.143 0.497 . . . . 0.0 110.968 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -89.67 -62.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.477 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -162.77 129.27 3.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.392 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.0 t60 . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.538 177.464 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . 0.819 'ZN ' ' HG ' ' A' ' 24' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.982 0.42 . . . . 0.0 110.577 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 11' ' ' ALA . 2.4 tm-20 -105.68 141.22 37.49 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 172.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.528 ' HB ' HD12 ' A' ' 12' ' ' LEU . 36.6 mt -62.89 -54.64 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.865 0.364 . . . . 0.0 110.456 -175.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.7 m 67.57 128.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.645 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.505 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.0 t -74.95 112.79 19.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 172.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.14 -23.26 73.03 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.217 2.611 . . . . 0.0 113.514 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.68 7.45 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.745 0.307 . . . . 0.0 111.685 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -131.63 -27.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.9 16.81 10.63 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.497 0.665 . . . . 0.0 109.963 -177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -95.81 158.96 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.266 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HA ' ' OE1' ' A' ' 2' ' ' GLU . . . -79.63 123.27 27.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.964 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD12 ' HB ' ' A' ' 3' ' ' ILE . 35.0 mt -68.77 118.45 11.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 111.176 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.28 95.64 2.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.151 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.556 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 17.5 ptt180 -99.94 149.04 23.84 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.451 0.643 . . . . 0.0 111.166 -174.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -88.4 -9.95 50.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.223 -0.898 . . . . 0.0 108.888 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.05 -59.58 0.67 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.54 -46.69 8.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.17 -0.515 . . . . 0.0 110.974 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 29' ' ' SER . 1.1 p -108.42 156.16 19.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.556 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . . . -123.46 134.61 53.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -177.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -112.65 124.52 52.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.717 0.294 . . . . 0.0 110.679 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.1 t -92.92 115.32 28.01 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.97 -30.24 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.534 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.6 p -95.08 58.49 2.17 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.379 0.609 . . . . 0.0 110.307 176.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.2 m -177.0 -35.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.009 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.43 22.06 11.9 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.777 0.798 . . . . 0.0 109.49 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -110.15 126.87 54.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.749 -1.114 . . . . 0.0 109.836 -176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -99.67 130.43 45.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.642 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -98.44 128.29 44.75 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.183 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.532 ' HA ' HG22 ' A' ' 18' ' ' THR . 15.9 t -99.65 113.22 25.53 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.367 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HG12 ' A' ' 70' ' ' ILE . 5.0 mp -102.92 164.71 11.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.402 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -111.57 142.13 44.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -82.54 95.81 7.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.062 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . 12.1 tp -97.14 157.44 15.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.495 ' HB3' HG13 ' A' ' 61' ' ' ILE . 2.2 p -98.9 108.99 52.07 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-O 120.78 0.324 . . . . 0.0 110.14 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.61 -33.86 54.05 Favored 'Trans proline' 0 N--CA 1.474 0.376 0 C-N-CA 123.479 2.786 . . . . 0.0 114.07 -171.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -71.64 -50.86 26.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.218 0.532 . . . . 0.0 111.015 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.727 ' SG ' ' HB3' ' A' ' 58' ' ' HIS . 26.0 p -116.87 82.2 1.76 Allowed 'General case' 0 C--O 1.25 1.079 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.811 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -77.22 88.27 3.66 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.756 0.66 . . . . 0.0 112.238 -168.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.709 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 25.8 mt-30 -153.8 157.76 32.58 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -44.35 124.19 4.98 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.118 2.545 . . . . 0.0 113.103 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 33' ' ' LEU . 5.2 mp -80.74 -178.49 6.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.367 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 62.3 tt0 -90.86 127.38 36.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.6 t -80.54 103.02 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.141 0.496 . . . . 0.0 110.714 -176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.3 mt -94.17 97.2 10.11 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.484 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -83.05 132.15 35.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.961 -175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.46 -169.36 1.84 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.44 88.24 3.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.089 0.471 . . . . 0.0 110.308 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -39.99 2.57 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.176 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.73 131.73 34.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.934 0.397 . . . . 0.0 111.072 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.7 m -118.3 107.23 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.344 0.592 . . . . 0.0 110.067 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.89 131.9 38.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 95.4 m-85 -89.94 104.42 16.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 28.7 t80 -148.98 105.52 3.54 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -174.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.4 p -78.73 94.65 5.14 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.194 0.521 . . . . 0.0 110.62 -177.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -95.91 -57.88 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.07 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -79.46 7.35 8.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.257 0.551 . . . . 0.0 111.164 -178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -159.05 159.4 30.32 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.727 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 10.5 m170 68.76 -78.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 117.295 0.547 . . . . 0.0 110.763 -176.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.6 131.76 2.26 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -52.25 129.91 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.29 0.567 . . . . 0.0 111.203 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 34' ' ' CYS . 39.7 mm -101.6 132.11 48.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.778 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 m -55.88 133.96 51.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -75.26 8.34 2.78 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.791 0.664 . . . . 0.0 112.791 -168.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -97.88 -56.96 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 171.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -84.4 67.12 9.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.856 0.836 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 32' ' ' ALA . 44.4 t -106.57 140.78 23.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.97 -1.014 . . . . 0.0 108.779 174.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 3.7 t-20 -83.46 80.27 9.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -72.67 102.25 3.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.1 p -125.2 142.38 42.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.773 -173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.449 HG12 ' HG ' ' A' ' 30' ' ' LEU . 35.9 mt -82.13 85.01 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 171.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.3 m -65.31 116.72 6.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.273 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.82 86.96 4.05 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -120.07 2.52 10.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.412 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.74 143.04 32.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -66.6 110.79 3.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.116 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -106.49 14.68 26.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.764 0.316 . . . . 0.0 110.394 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 m170 71.65 118.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.192 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -65.66 -38.61 89.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.1 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -85.48 94.69 9.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.301 174.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -145.07 165.79 27.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.208 177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.1 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.544 -0.741 . . . . 0.0 109.984 -179.647 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtm . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.472 0.177 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 62.25 -173.99 0.14 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.446 0.641 . . . . 0.0 110.767 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.8 pt -107.55 99.17 8.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 166.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.547 ' CG2' ' HA ' ' A' ' 9' ' ' HIS . 3.0 m -119.13 125.7 49.87 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -166.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' HB2' HD21 ' A' ' 12' ' ' LEU . 52.2 t -67.93 122.68 84.78 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.62 -39.91 74.4 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.52 2.813 . . . . 0.0 113.721 -173.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.82 -11.16 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.027 0.442 . . . . 0.0 111.334 -176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 10' ' ' HIS . 76.1 m -103.94 -52.01 3.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.547 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 41.5 t60 54.11 43.2 31.05 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.864 0.84 . . . . 0.0 109.119 -167.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 16.3 m80 -130.97 25.07 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.061 -178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.26 -173.97 0.14 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.21 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 5' ' ' CYS . 85.6 mt -144.81 163.49 33.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.57 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.21 127.35 51.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -79.23 113.05 17.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.906 0.384 . . . . 0.0 110.017 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -79.85 -15.17 57.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.205 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.04 -77.52 0.23 Allowed Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.237 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -102.57 -14.25 16.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.329 0.585 . . . . 0.0 109.895 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 29' ' ' SER . 34.3 p -123.6 167.5 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.902 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.84 123.15 49.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -97.41 122.65 40.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.965 0.412 . . . . 0.0 110.824 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 4.9 t -92.62 113.86 26.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.438 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -76.55 -57.21 3.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 p -66.09 114.46 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 171.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 24' ' ' CYS . 2.9 p 59.14 97.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.7 0.762 . . . . 0.0 109.192 -164.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' CYS . . . -70.83 100.73 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.076 -172.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -151.53 149.76 29.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.148 172.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -112.95 148.99 33.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.124 0.488 . . . . 0.0 110.659 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 70' ' ' ILE . 79.7 m-85 -120.28 128.89 53.73 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HG22 ' A' ' 18' ' ' THR . 50.7 m -73.63 125.41 27.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 19' ' ' ALA . 85.6 mt -100.11 135.04 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.206 0.527 . . . . 0.0 111.161 -175.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -118.6 120.98 39.09 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.311 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -66.31 115.66 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 175.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.9 tp -125.23 155.28 40.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.352 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.58 ' SG ' HG12 ' A' ' 61' ' ' ILE . 5.0 t -105.36 130.62 22.78 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.62 -39.11 67.15 Favored 'Trans proline' 0 N--CA 1.475 0.441 0 C-N-CA 123.203 2.602 . . . . 0.0 113.595 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -80.24 -14.28 58.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.527 -177.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.29 91.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.284 0.564 . . . . 0.0 110.736 -176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -85.15 76.23 10.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.687 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mt-30 -147.89 176.24 2.32 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 114.79 -1.095 . . . . 0.0 108.623 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.687 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 11.4 Cg_endo -56.38 107.5 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.77 1.647 . . . . 0.0 110.893 171.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 52' ' ' TYR . 77.3 mt -72.96 -171.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.747 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.576 ' HG2' ' HA ' ' A' ' 54' ' ' CYS . 49.6 mm-40 -80.52 102.3 9.65 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -70.63 101.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.21 -175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 mt -103.34 117.05 33.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.32 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -85.34 126.04 33.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.223 0.535 . . . . 0.0 111.309 -177.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.37 -169.25 2.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.699 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.3 p -52.68 -55.47 22.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.006 0.432 . . . . 0.0 111.154 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.73 38.27 1.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.749 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 166.6 30.87 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.3 t -120.66 115.22 46.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.64 117.92 33.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.424 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.641 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 97.3 m-85 -89.46 96.78 10.85 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 169.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 10.2 t80 -144.99 116.25 7.97 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -170.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . 59.9 m -67.65 90.04 0.26 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.073 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -80.8 -37.73 29.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.857 0.361 . . . . 0.0 110.765 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -124.27 -26.41 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.74 24.54 12.16 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.545 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 9.5 t-160 172.41 -60.93 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.8 147.59 6.12 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 -172.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 60' ' ' LEU . 2.4 pt? -54.29 135.94 43.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.306 0.574 . . . . 0.0 110.837 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.58 HG12 ' SG ' ' A' ' 34' ' ' CYS . 3.2 mp -102.77 155.82 5.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.395 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 t -59.91 129.36 41.43 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 172.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HA ' HG23 ' A' ' 66' ' ' VAL . 87.5 mttt -68.57 -17.54 64.16 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -171.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -85.57 -2.72 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.995 0.426 . . . . 0.0 110.614 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -110.86 8.69 22.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.337 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 63' ' ' LYS . 21.9 t -80.03 103.78 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 173.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -74.49 93.85 2.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.083 0.468 . . . . 0.0 111.136 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.75 107.81 5.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.2 m -101.87 169.24 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.143 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.466 HG23 ' HB3' ' A' ' 28' ' ' PHE . 72.2 mt -101.49 112.28 34.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.519 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.8 m -114.83 103.58 11.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.232 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -114.49 -6.09 12.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.331 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -79.01 -73.45 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.706 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 75' ' ' GLU . 10.5 mp 56.51 -164.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.046 0.451 . . . . 0.0 111.647 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 74' ' ' LEU . 2.7 mp0 -89.02 86.85 7.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -100.91 -39.86 7.56 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 17.5 t-160 -170.8 49.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 17.2 m-70 68.61 179.77 0.23 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.151 -168.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -96.82 92.1 5.98 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -85.08 124.31 31.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.986 -173.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.147 176.254 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.709 0.29 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -102.77 155.46 18.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.8 pt -77.06 125.49 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 174.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 11' ' ' ALA . 1.5 t -155.7 141.87 18.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.237 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -60.74 125.57 83.21 Favored Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.88 -60.27 0.26 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.975 2.45 . . . . 0.0 113.211 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.5 m -70.94 -23.45 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 0.0 111.438 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -116.13 56.65 0.77 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.511 0.672 . . . . 0.0 109.914 177.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.23 128.24 34.73 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.765 -172.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.746 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 27.2 t-80 -178.94 -60.65 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.128 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 175.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' THR . . . -175.35 -174.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.749 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 5' ' ' CYS . 13.1 mt -144.31 143.8 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.883 0.373 . . . . 0.0 110.288 172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -107.12 104.28 13.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.035 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.08 114.22 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.292 0.568 . . . . 0.0 110.389 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -90.31 -1.76 57.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.281 -179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.91 -55.06 0.74 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.491 -178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -85.43 -35.22 21.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.173 0.511 . . . . 0.0 110.548 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -139.76 165.55 26.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.229 0.538 . . . . 0.0 111.516 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -110.62 110.92 21.81 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -93.61 133.93 36.43 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.748 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.686 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 10.7 m -79.35 150.69 31.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.793 0.806 . . . . 0.0 110.749 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.746 ' OE2' ' HB3' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -78.58 -72.42 0.38 Allowed 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.837 -166.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 t -105.32 1.95 28.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.81 0.814 . . . . 0.0 110.003 -177.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.686 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -112.05 138.11 49.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.461 174.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.79 75.86 6.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.025 0.44 . . . . 0.0 111.039 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 26.1 mtpp -138.48 141.27 39.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -133.4 120.85 21.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 60.3 m-85 -98.8 139.39 34.55 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.818 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -78.7 125.02 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.0 mt -100.07 132.12 45.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.772 0.32 . . . . 0.0 110.245 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -111.96 128.05 56.05 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -65.58 98.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.762 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 151.42 20.81 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.735 -176.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.559 ' SG ' ' HG ' ' A' ' 41' ' ' LEU . 1.9 p -96.2 109.03 45.12 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.519 ' HD2' HG21 ' A' ' 61' ' ' ILE . 23.6 Cg_endo -60.97 -49.51 8.1 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 123.368 2.712 . . . . 0.0 113.691 -172.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.45 -57.49 11.12 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 110.383 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 26.4 p -105.49 85.18 2.2 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 46.4 ttp180 -74.28 91.21 2.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.87 0.843 . . . . 0.0 111.412 -172.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -171.95 165.48 4.07 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 113.951 -1.477 . . . . 0.0 107.8 179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.43 ' O ' ' HE1' ' A' ' 58' ' ' HIS . 82.6 Cg_exo -42.12 149.24 0.31 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 123.619 2.879 . . . . 0.0 113.962 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' HG ' ' SG ' ' A' ' 34' ' ' CYS . 5.2 mp -112.39 -171.8 1.92 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.358 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 6.5 tp60 -84.75 129.13 34.87 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.8 t -79.27 103.92 6.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.441 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 65.7 mt -95.29 130.64 41.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.869 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -100.9 125.96 47.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -116.04 170.06 8.78 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.4 p -56.96 -45.22 82.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.0 111.648 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.48 30.23 3.48 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.521 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -158.09 156.11 30.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.975 0.416 . . . . 0.0 111.11 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.39 106.13 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.43 139.29 34.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.035 0.445 . . . . 0.0 111.461 -172.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.566 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 55.8 m-85 -96.25 108.22 20.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 7.0 t80 -151.16 105.84 3.27 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 2.1 p -80.02 88.27 5.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.832 -174.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -78.44 -68.67 0.62 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.412 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -89.61 111.49 22.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.585 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.38 -51.6 0.8 Allowed Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.644 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.548 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.6 m170 -116.45 -58.12 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.603 -0.351 . . . . 0.0 110.31 -177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.22 -98.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.254 175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.86 107.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 174.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.519 HG21 ' HD2' ' A' ' 35' ' ' PRO . 20.4 mm -88.67 125.45 41.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.043 -176.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 t -51.37 132.72 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.238 0.336 . . . . 0.0 110.163 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HA ' HG23 ' A' ' 66' ' ' VAL . 65.9 pttt -64.0 -13.81 49.33 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.736 -173.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -86.43 -15.03 41.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.075 0.464 . . . . 0.0 110.208 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -111.0 -6.77 14.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.718 -176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 32' ' ' ALA . 59.2 t -61.44 119.33 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' ND2' ' HB ' ' A' ' 69' ' ' VAL . 6.1 t30 -92.63 99.7 12.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.41 -175.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.42 103.1 3.96 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 177.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' HB ' ' ND2' ' A' ' 67' ' ' ASN . 12.7 p -117.21 147.91 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.895 0.379 . . . . 0.0 111.505 -172.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.92 127.76 26.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.819 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.2 m -110.87 166.59 10.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.782 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -68.13 106.12 2.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.58 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -118.09 -20.72 8.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.921 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.18 121.57 27.65 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -173.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 66.47 -18.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 170.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -79.26 9.63 4.43 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.027 -0.421 . . . . 0.0 111.888 -175.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -85.79 -7.4 58.78 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -81.91 148.11 28.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -152.41 129.42 11.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.243 0.544 . . . . 0.0 111.769 -172.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -154.28 -39.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.153 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 19.9 p80 . . . . . 0 C--O 1.242 0.677 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.504 172.02 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.484 1.225 0 CA-C-O 120.682 0.277 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -119.18 127.34 53.21 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 12' ' ' LEU . 1.1 pp -77.91 127.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.506 0.67 . . . . 0.0 111.727 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -115.27 155.62 26.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.581 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HB2' HD21 ' A' ' 12' ' ' LEU . 42.5 t -75.95 111.73 16.45 Favored Pre-proline 0 C--N 1.324 -0.509 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 171.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.68 -25.73 76.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.871 2.381 . . . . 0.0 112.856 -172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.494 HG12 ' SG ' ' A' ' 5' ' ' CYS . 7.4 p -93.4 -7.59 10.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.292 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.0 m -124.29 -17.11 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 64.25 12.72 7.38 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.767 0.794 . . . . 0.0 110.283 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -100.4 150.71 22.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.012 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.57 135.47 43.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.7 mt -84.72 117.7 23.97 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.344 176.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.89 119.55 15.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.056 -0.657 . . . . 0.0 109.533 176.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 14.3 ttp85 -83.65 111.94 19.58 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.774 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -78.35 -12.64 60.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.73 0.776 . . . . 0.0 109.233 176.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 137.26 -77.64 0.34 Allowed Glycine 0 N--CA 1.441 -0.983 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.882 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.14 -14.19 36.74 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.446 0.641 . . . . 0.0 110.181 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 27' ' ' ASP . 24.8 m -138.16 146.25 42.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.052 -174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -110.87 140.58 45.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -127.83 129.16 46.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -169.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 44.3 t -97.48 125.72 42.32 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.752 174.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -77.59 -28.38 51.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 111.259 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 p -85.77 18.05 3.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.568 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HE2' ' A' ' 26' ' ' LYS . 12.7 m -146.6 -37.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.872 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.35 17.8 5.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.306 0.642 . . . . 0.0 110.176 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HE2' ' SG ' ' A' ' 24' ' ' CYS . 46.7 mtmt -91.49 144.31 25.69 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.956 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' HB3' HG21 ' A' ' 18' ' ' THR . 32.0 m-20 -114.55 130.0 56.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.84 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -112.09 136.43 51.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -80.85 136.45 36.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.498 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 19' ' ' ALA . 98.6 mt -111.5 132.61 54.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.905 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -112.28 136.74 51.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.175 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -84.99 114.35 22.1 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 38' ' ' ARG . 3.0 mp -111.59 147.36 35.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.623 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' A' ' 61' ' ' ILE . 57.7 m -96.68 150.93 37.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.955 174.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.9 Cg_exo -65.81 -26.93 52.06 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.604 2.203 . . . . 0.0 112.074 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.6 -29.74 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.658 -178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -144.37 101.78 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.15 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.571 ' HA ' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -89.41 48.41 1.6 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.766 0.793 . . . . 0.0 110.549 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.465 ' HB3' ' CD ' ' A' ' 40' ' ' PRO . 0.7 OUTLIER -103.87 176.98 1.55 Allowed Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.049 172.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' CD ' ' HB3' ' A' ' 39' ' ' GLN . 34.7 Cg_exo -64.57 9.94 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.483 2.122 . . . . 0.0 113.438 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD22 ' SG ' ' A' ' 54' ' ' CYS . 51.8 mt 54.04 -102.97 0.16 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.368 0.667 . . . . 0.0 111.258 177.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 52.6 tt0 -147.61 107.14 3.93 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 p -71.97 121.79 22.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.74 0.781 . . . . 0.0 111.751 -173.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 mt -114.56 145.35 42.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.704 -1.135 . . . . 0.0 108.683 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -134.52 133.5 40.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.177 0.513 . . . . 0.0 110.846 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 115.62 17.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.822 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.2 m 62.65 -87.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.746 0.654 . . . . 0.0 110.722 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.58 4.11 5.1 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.03 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.26 145.99 29.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.739 0.304 . . . . 0.0 110.73 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 m -121.17 143.26 34.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.37 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.52 132.0 20.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.283 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 89.4 m-85 -97.2 102.93 14.81 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 9.4 t80 -140.99 119.15 12.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.961 -167.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.593 ' SG ' HD22 ' A' ' 41' ' ' LEU . 87.4 m -66.96 130.05 41.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.953 0.406 . . . . 0.0 110.257 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -114.22 -77.33 0.57 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.09 113.71 26.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.412 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.18 -43.63 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.779 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 5.0 t-160 -122.71 -67.2 0.97 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.231 0.539 . . . . 0.0 109.719 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.97 177.13 14.72 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.2 pp -72.68 139.0 47.0 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.408 0.623 . . . . 0.0 111.12 -175.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG13 ' SG ' ' A' ' 34' ' ' CYS . 30.9 mm -115.96 132.22 66.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.427 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 t -55.17 113.5 1.4 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -75.12 8.32 2.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -169.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -98.92 4.8 47.46 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 168.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -122.03 -0.42 9.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.977 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 m -77.86 155.76 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.184 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -98.76 100.04 11.2 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.88 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -77.62 108.75 11.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.12 150.29 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.054 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.94 107.99 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.9 t -140.0 -179.41 5.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.094 0.473 . . . . 0.0 110.726 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -105.17 -175.09 2.69 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 174.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -87.69 -53.18 4.91 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.5 mt -145.08 146.61 31.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.282 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -81.75 113.84 19.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.39 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -132.22 -60.13 0.91 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.764 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 17.4 m80 52.07 -99.56 0.08 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.916 -174.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 77' ' ' HIS . 55.8 t60 175.99 134.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -53.86 -63.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.515 0.509 . . . . 0.0 111.502 -173.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -125.89 -84.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.833 177.324 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' NZ ' ' A' ' 64' ' ' LYS . 69.8 mtm . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.27 121.36 32.21 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.0 mp -79.75 110.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 m -101.68 136.71 41.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.344 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' HB2' HD21 ' A' ' 12' ' ' LEU . 47.8 t -64.67 128.67 93.77 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.261 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.76 -23.29 35.89 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.366 2.044 . . . . 0.0 112.073 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.3 t -88.66 -60.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.936 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -82.12 -16.48 49.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.766 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 55.62 45.21 25.22 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 122.046 0.927 . . . . 0.0 109.738 -174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -132.27 146.12 51.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.888 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 135.9 56.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.341 . . . . 0.0 111.484 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD21 ' HB2' ' A' ' 5' ' ' CYS . 62.7 mt -82.77 154.95 24.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.589 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.68 109.54 20.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -89.9 111.25 22.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.087 0.47 . . . . 0.0 110.556 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -94.81 -10.38 31.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.472 0.654 . . . . 0.0 109.697 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . 103.0 116.43 4.2 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 16' ' ' GLY . 25.4 t70 73.19 -35.48 0.32 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.115 0.566 . . . . 0.0 111.236 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 16' ' ' GLY . 4.4 m -117.12 133.55 55.86 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.828 0.347 . . . . 0.0 110.567 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.88 115.99 30.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.027 175.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -110.61 125.71 53.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.015 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.87 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 52.3 t -79.57 129.73 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.855 178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.9 -27.68 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -107.94 16.77 23.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.959 -176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.87 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 95.6 m -137.48 173.11 12.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.225 176.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.86 24.32 12.82 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.557 0.694 . . . . 0.0 109.163 173.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -101.06 142.98 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.067 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -118.25 121.26 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.301 173.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -104.15 133.92 48.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.5 m -81.0 121.76 26.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.494 177.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 19' ' ' ALA . 76.0 mt -100.5 113.22 25.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.044 0.45 . . . . 0.0 110.595 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -111.97 139.22 47.65 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.617 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -91.52 112.99 25.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.149 -177.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -110.94 162.84 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 41' ' ' LEU . 24.9 p -123.81 156.14 65.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.685 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.23 146.7 9.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.62 2.88 . . . . 0.0 112.346 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 61.59 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.409 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.597 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 15.4 p -82.41 78.1 9.1 Favored 'General case' 0 C--O 1.253 1.274 0 CA-C-O 121.452 0.644 . . . . 0.0 110.859 -175.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' CYS . 86.0 mtt-85 -79.56 6.15 11.21 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.408 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.929 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 37.2 mt-30 -112.25 -57.44 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.97 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.929 ' HD3' ' HB2' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -61.77 104.06 0.31 Allowed 'Trans proline' 0 C--O 1.259 1.544 0 C-N-CA 121.964 1.776 . . . . 0.0 112.178 170.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.688 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 2.6 mp -148.52 152.71 37.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 113.658 -1.61 . . . . 0.0 107.546 167.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.1 mt-30 -91.38 113.44 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.6 t -78.66 88.12 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.34 0.591 . . . . 0.0 109.869 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.059 -175.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -90.34 95.96 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.13 158.86 19.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.151 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -67.64 109.75 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.071 0.462 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.89 61.5 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.692 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.28 99.15 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.098 0.475 . . . . 0.0 111.341 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.03 116.43 46.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.46 126.43 38.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.919 0.39 . . . . 0.0 111.865 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.575 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 58.2 m-85 -86.9 101.13 13.1 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 165.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 30.9 t80 -146.12 118.84 8.61 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.719 -167.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 90.3 m -77.21 131.02 38.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.267 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -119.81 -39.19 2.87 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -109.01 150.62 27.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.705 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.19 -81.19 1.76 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.274 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -79.73 -69.1 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.764 0.316 . . . . 0.0 110.379 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.84 168.01 11.42 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 4.5 pp -73.85 134.75 43.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.28 0.562 . . . . 0.0 110.865 -177.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.46 126.75 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.251 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -55.05 131.26 44.55 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HA ' HG23 ' A' ' 66' ' ' VAL . 27.6 ttmt -60.51 -24.03 65.0 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -171.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' NZ ' ' SD ' ' A' ' 1' ' ' MET . 48.5 tttm -71.63 -11.04 60.64 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.207 0.527 . . . . 0.0 110.584 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 3.9 mmp_? -119.4 0.59 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.328 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' CG1' ' HB1' ' A' ' 32' ' ' ALA . 67.9 t -78.58 131.2 34.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -85.86 91.78 8.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.735 0.303 . . . . 0.0 111.382 -175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -79.6 97.14 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.22 166.67 19.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.993 0.425 . . . . 0.0 111.248 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 29' ' ' SER . 53.0 mt -77.63 104.41 5.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 p -81.44 25.16 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.797 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -115.19 -166.23 1.1 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 1.007 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER 66.64 -162.69 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.958 0.503 . . . . 0.0 110.579 -177.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 mt -131.48 133.08 44.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.404 0.621 . . . . 0.0 112.618 -173.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.817 ' HG3' ' H ' ' A' ' 77' ' ' HIS . 4.1 tp10 -77.02 -36.77 55.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.24 166.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 67.48 5.81 4.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.35 174.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.817 ' H ' ' HG3' ' A' ' 75' ' ' GLU . 83.2 t60 59.1 76.83 0.34 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 110.538 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -95.91 57.33 1.8 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.772 . . . . 0.0 110.727 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -110.69 138.41 47.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 170.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.77 -88.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -167.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.9 p80 . . . . . 0 C--O 1.246 0.87 0 C-N-CA 123.998 0.919 . . . . 0.0 109.251 172.374 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 72.72 156.62 0.17 Allowed 'General case' 0 C--O 1.234 0.276 0 O-C-N 124.126 0.891 . . . . 0.0 111.36 178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 12' ' ' LEU . 11.6 pt -71.36 128.39 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.581 176.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -124.74 144.99 49.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' HD21 ' A' ' 12' ' ' LEU . 45.6 t -78.75 131.62 67.03 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.19 23.43 0.47 Allowed 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.136 2.557 . . . . 0.0 112.868 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.0 t -135.14 -57.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.0 115.31 30.05 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.436 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -69.0 81.36 0.31 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.556 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -145.56 157.35 44.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.438 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' HB2' HG13 ' A' ' 3' ' ' ILE . 39.5 mt -91.5 167.01 12.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.13 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.68 150.85 40.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 177.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.18 132.32 36.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.315 -176.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.9 33.93 5.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.137 0.494 . . . . 0.0 110.131 178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.31 -100.63 2.69 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.136 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.19 3.36 53.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.068 0.461 . . . . 0.0 111.085 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -147.35 154.52 41.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.337 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.0 145.08 39.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -105.43 135.05 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.123 0.487 . . . . 0.0 111.143 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HA ' HD22 ' A' ' 12' ' ' LEU . 9.0 t -108.23 123.43 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.671 176.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.74 -77.69 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.697 0.284 . . . . 0.0 110.238 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 130.62 47.53 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p 50.86 91.15 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.584 0.707 . . . . 0.0 109.84 -164.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.44 117.74 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.467 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -151.42 156.16 40.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.055 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -130.38 114.76 15.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.109 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' HB3' HG23 ' A' ' 70' ' ' ILE . 75.4 m-85 -98.49 134.87 40.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.746 -175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.8 t -72.18 124.6 25.37 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 68' ' ' PHE . 4.8 mp -101.43 145.79 28.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.493 0.663 . . . . 0.0 111.623 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.422 ' HB2' ' HB2' ' A' ' 71' ' ' SER . 52.3 tt0 -124.76 128.79 49.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.27 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -81.15 123.12 28.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 0.0 111.217 -177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD21 ' HG3' ' A' ' 38' ' ' ARG . 12.2 tp -131.71 154.08 49.37 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 p -115.66 126.26 27.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.897 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.48 -12.07 33.76 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 123.718 2.945 . . . . 0.0 112.586 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.61 -32.09 69.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.588 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 28.4 p -143.2 -38.56 0.33 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.225 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HG3' HD21 ' A' ' 33' ' ' LEU . 51.5 ttp180 66.64 14.96 9.98 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.243 1.021 . . . . 0.0 109.05 -173.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' NE2' ' HB2' ' A' ' 37' ' ' CYS . 2.5 mp0 -86.57 107.73 14.99 Favored Pre-proline 0 C--O 1.254 1.325 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.961 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -20.1 103.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.254 1 C-N-CA 125.895 4.397 . . . . 0.0 113.17 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.917 ' HA ' ' SG ' ' A' ' 54' ' ' CYS . 8.2 mp -51.67 -86.14 0.0 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.506 -168.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.625 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.8 tp60 168.97 107.7 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 2.6 p -73.43 110.42 6.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.771 0.796 . . . . 0.0 110.128 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 23.0 mt -105.67 115.71 30.71 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.336 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -107.89 142.63 37.68 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.929 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.86 -91.07 0.55 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 170.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -147.02 94.63 2.44 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.93 -44.42 2.85 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.365 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.64 31.43 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 110.722 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.0 t -120.36 119.95 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.722 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.5 m-20 -110.15 158.21 18.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.925 0.393 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 43.1 m-85 -132.37 110.23 10.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 172.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 2.2 t80 -153.3 118.67 5.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -172.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.917 ' SG ' ' HA ' ' A' ' 41' ' ' LEU . 76.8 m -67.48 88.53 0.21 Allowed 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -77.14 -32.4 56.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -129.21 168.62 15.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.625 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.99 -63.67 3.81 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.152 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 10.2 t-160 -93.8 -68.42 0.8 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 177.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.75 152.3 6.73 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -55.69 119.2 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 61' ' ' ILE . 4.1 mp -81.11 150.16 4.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.594 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -55.6 117.89 4.02 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 172.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -55.75 -32.38 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.265 -171.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -91.67 10.85 26.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -116.37 -1.2 12.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.286 0.565 . . . . 0.0 109.722 172.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.1 t -72.71 120.37 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.621 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -82.13 98.77 8.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.419 ' HB3' HD23 ' A' ' 30' ' ' LEU . 90.2 m-85 -78.24 97.35 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 172.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.7 m -102.46 161.3 4.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.828 -176.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 28' ' ' PHE . 74.6 mt -69.65 116.66 11.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.187 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' GLN . 11.8 t -72.34 103.51 3.44 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.292 0.567 . . . . 0.0 110.034 -177.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -143.87 144.5 31.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.982 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -113.23 4.15 16.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 tp -134.03 97.64 3.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -98.55 129.01 45.09 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 163.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -74.3 -52.5 12.07 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -177.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -168.54 141.54 2.97 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 172.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -77.74 25.2 0.2 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -167.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -86.36 70.92 10.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.714 0.769 . . . . 0.0 109.13 173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -129.73 15.64 5.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.367 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.67 -179.322 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' HG2' HG23 ' A' ' 4' ' ' THR . 53.3 tt0 -132.22 -72.77 0.52 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.441 -176.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.45 HG22 HD12 ' A' ' 12' ' ' LEU . 55.8 mt 67.19 -74.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 O-C-N 123.647 0.592 . . . . 0.0 111.244 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 11' ' ' ALA . 41.2 p 63.08 137.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.914 1.286 . . . . 0.0 113.329 177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.617 ' SG ' HD21 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -87.81 142.49 32.48 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.689 176.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.21 -35.49 91.16 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.236 2.624 . . . . 0.0 112.143 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.441 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 27.5 m -112.48 160.69 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 172.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 7' ' ' VAL . 16.7 p 41.4 49.47 3.46 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 123.394 0.434 . . . . 0.0 109.938 -174.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.4 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 20.2 t-80 -48.58 -95.29 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.875 1.359 . . . . 0.0 113.805 -172.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 41.32 -88.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.19 0.996 . . . . 0.0 112.265 -167.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.595 ' HA ' HG22 ' A' ' 4' ' ' THR . . . -155.87 167.56 30.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.804 0.335 . . . . 0.0 111.131 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD21 ' SG ' ' A' ' 5' ' ' CYS . 34.7 mt -128.17 146.33 50.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.66 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -108.36 144.07 36.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.202 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -82.81 100.99 10.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.901 0.381 . . . . 0.0 110.362 175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 3.1 t-20 -88.5 55.59 3.46 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.27 -106.63 1.98 Allowed Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.774 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -83.79 -15.3 48.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.102 0.477 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -108.38 161.78 14.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.273 -173.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.93 110.72 21.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 15' ' ' ASN . 84.5 t60 -96.84 136.86 36.8 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.374 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.742 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 11.0 m -78.85 131.07 36.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.99 0.424 . . . . 0.0 110.193 177.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.68 -58.51 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.657 -175.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -98.57 18.02 17.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 122.262 1.03 . . . . 0.0 109.138 -175.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.742 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -142.18 140.25 32.33 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.102 -173.048 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.94 78.99 9.79 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.7 tppt? -151.34 149.37 29.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.579 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.08 127.51 34.15 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 173.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.4 m-85 -108.07 148.43 29.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.916 0.388 . . . . 0.0 111.319 -177.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.7 m -88.37 135.0 33.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 19' ' ' ALA . 86.0 mt -105.9 131.3 53.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.885 0.374 . . . . 0.0 111.045 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -111.66 109.6 19.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.661 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.515 ' O ' ' HD2' ' A' ' 52' ' ' TYR . . . -81.07 97.53 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD21 ' HG3' ' A' ' 38' ' ' ARG . 13.1 tp -106.37 162.79 13.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.097 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 2.6 p -96.24 115.29 65.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 121.257 0.551 . . . . 0.0 109.574 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 67' ' ' ASN . 82.4 Cg_endo -78.16 10.97 2.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 123.441 2.761 . . . . 0.0 113.767 -171.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -123.47 -61.99 1.35 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.055 0.455 . . . . 0.0 109.841 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.9 p -94.53 49.28 1.26 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.092 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HG3' HD21 ' A' ' 33' ' ' LEU . 10.7 ttp180 -51.97 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.852 0.834 . . . . 0.0 112.779 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' HD12 ' A' ' 41' ' ' LEU . 52.6 mt-30 -150.19 158.16 36.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.27 117.0 3.03 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.354 2.036 . . . . 0.0 112.351 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 39' ' ' GLN . 6.9 mp -78.4 -177.73 5.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -97.01 138.4 34.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 110.146 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -80.01 94.24 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.827 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 53' ' ' PHE . 81.6 mt -85.62 107.35 17.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.096 0.474 . . . . 0.0 110.429 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -95.51 98.98 10.93 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.556 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 96.51 9.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.689 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.6 m 62.79 -84.05 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.73 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.93 5.27 5.07 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.99 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.53 125.23 51.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.765 0.317 . . . . 0.0 110.471 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -100.15 118.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.305 -177.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.8 123.11 48.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.735 172.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HD2' ' O ' ' A' ' 32' ' ' ALA . 2.2 t80 -86.25 101.35 12.96 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HB3' HD12 ' A' ' 44' ' ' LEU . 27.9 t80 -140.8 141.99 34.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.745 -167.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 25.8 m -70.09 124.61 24.51 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 174.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -156.55 146.84 21.36 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.282 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 50.36 54.23 11.51 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 124.061 0.851 . . . . 0.0 111.707 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.25 -58.71 0.62 Allowed Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.298 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 8.0 t-80 -66.57 -59.71 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.498 ' N ' ' HB3' ' A' ' 54' ' ' CYS . . . 154.25 -108.92 0.39 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.461 170.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' HB2' ' A' ' 54' ' ' CYS . 4.0 pp 174.63 150.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.801 0.841 . . . . 0.0 108.741 173.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.479 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -128.64 147.82 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 t -62.66 130.46 45.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.491 ' HA ' HG23 ' A' ' 66' ' ' VAL . 33.2 mtpt -72.36 8.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 0.0 110.989 -174.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -93.75 -17.88 22.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.628 174.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 65' ' ' ARG . 5.4 mtm180 -123.55 22.92 9.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.429 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.2 t -73.52 133.92 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' HB3' ' A' ' 35' ' ' PRO . 55.2 t30 -88.09 96.79 10.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.37 . . . . 0.0 110.246 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.57 108.31 15.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.333 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.12 130.69 43.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.225 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 28' ' ' PHE . 73.8 mt -80.93 115.45 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.064 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.4 m -111.98 113.41 25.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.1 114.81 29.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -78.22 170.26 16.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.057 0.456 . . . . 0.0 111.523 -173.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.76 ' H ' HD23 ' A' ' 74' ' ' LEU . 2.2 pt? -107.61 23.95 13.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.18 -175.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -29.71 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -80.84 91.34 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 111.537 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -156.08 103.84 2.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.783 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 12.8 p80 -179.64 158.26 0.8 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.748 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 78' ' ' HIS . 18.6 t-80 75.27 103.98 0.07 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.872 0.733 . . . . 0.0 112.141 178.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -129.51 82.88 2.1 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.166 -177.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.709 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 10.6 ptt? . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 111.509 0.189 . . . . 0.0 111.509 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.709 ' H ' ' HG3' ' A' ' 1' ' ' MET . 35.8 mm-40 59.98 -168.0 0.17 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 122.984 0.513 . . . . 0.0 110.755 -176.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.59 125.37 58.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.32 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 11' ' ' ALA . 2.7 p -134.86 161.08 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . 64.4 m -67.47 118.0 52.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.021 175.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.41 -26.2 41.18 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.406 2.071 . . . . 0.0 112.587 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 p -112.45 -36.35 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.961 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -97.38 -12.25 22.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.376 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 5.9 m170 60.5 -178.65 0.1 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.35 -171.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' HIS . 56.5 m80 74.03 163.9 0.27 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.827 -170.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 4' ' ' THR . . . -79.93 167.73 20.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.352 0.596 . . . . 0.0 112.31 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -116.17 157.29 25.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.259 177.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -105.82 131.55 53.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -81.53 100.88 9.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -71.15 -29.5 65.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.212 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.17 -75.2 0.33 Allowed Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -96.4 -9.43 29.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.587 0.708 . . . . 0.0 109.794 175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.58 155.72 48.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.354 -177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.448 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -111.07 124.69 52.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.06 176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.11 132.43 45.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.122 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.761 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 62.3 m -79.29 138.43 37.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.494 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -77.14 -60.1 2.51 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.168 0.509 . . . . 0.0 111.228 176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.8 p -85.27 13.84 5.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.176 -170.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.761 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -161.0 145.35 13.66 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.456 -170.165 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.53 74.01 10.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.406 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -143.28 127.14 17.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.077 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.57 125.58 53.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' HB3' HG23 ' A' ' 70' ' ' ILE . 57.0 m-85 -100.96 131.57 46.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.878 -176.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -76.52 124.97 28.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 19' ' ' ALA . 89.5 mt -100.29 143.49 30.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.899 0.38 . . . . 0.0 110.24 -177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -133.83 123.67 25.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.124 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -75.56 103.87 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 38' ' ' ARG . 12.4 tp -112.3 156.37 22.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.367 -174.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' SG ' ' HD2' ' A' ' 35' ' ' PRO . 14.3 t -98.47 142.32 24.4 Favored Pre-proline 0 N--CA 1.45 -0.434 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.486 ' HD2' ' SG ' ' A' ' 34' ' ' CYS . 60.0 Cg_exo -53.46 -32.41 62.71 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.124 2.55 . . . . 0.0 113.997 -177.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.08 -33.55 9.21 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.789 -176.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.799 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 3.7 p -121.57 134.35 55.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.531 0.681 . . . . 0.0 110.953 -175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.529 ' HA ' HD11 ' A' ' 33' ' ' LEU . 63.7 mtt85 -115.0 18.35 16.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.534 -172.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.586 ' HB2' ' HD3' ' A' ' 40' ' ' PRO . 22.2 mt-30 -145.47 -55.41 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.467 -171.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.799 ' HD2' ' HB2' ' A' ' 37' ' ' CYS . 12.1 Cg_exo -72.46 24.87 0.27 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.942 2.428 . . . . 0.0 114.808 -171.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.98 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 7.1 mp -84.07 132.53 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.882 175.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.8 mm-40 -84.08 142.08 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.45 -177.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.6 97.72 7.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.125 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 28.5 mt -88.34 117.83 27.53 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' HG2' HG12 ' A' ' 50' ' ' VAL . 81.0 mttt -99.82 118.27 35.93 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.089 0.471 . . . . 0.0 111.153 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.71 83.31 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.257 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.7 t 66.88 -75.42 0.06 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.811 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.66 -17.75 2.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.444 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.18 146.65 25.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.536 HG12 ' HG2' ' A' ' 45' ' ' LYS . 17.3 m -114.55 137.56 47.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.892 0.377 . . . . 0.0 111.087 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -133.53 123.18 24.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.164 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 7.8 m-85 -86.55 116.92 25.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.615 0.721 . . . . 0.0 110.333 -179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.1 t80 -149.12 99.58 2.96 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.607 -170.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.98 ' HB3' ' HA ' ' A' ' 41' ' ' LEU . 5.6 p -78.68 88.31 4.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.664 -171.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -77.25 -34.15 55.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.0 109.568 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.32 123.81 50.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.459 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.49 2.92 40.84 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 7.6 t60 -172.3 -73.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.162 0.506 . . . . 0.0 109.9 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.9 161.38 10.28 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 pp -57.72 131.3 49.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.343 0.592 . . . . 0.0 111.634 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.67 HD11 ' SG ' ' A' ' 54' ' ' CYS . 1.5 mp -103.75 157.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.61 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.0 t -73.38 119.73 18.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 168.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' HG13 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -73.65 8.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.18 0.514 . . . . 0.0 111.479 -179.559 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -93.7 -8.05 41.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 168.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -115.38 -16.54 11.43 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.69 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 63' ' ' LYS . 28.5 m -60.07 144.07 13.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.038 0.447 . . . . 0.0 110.928 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -99.23 101.66 13.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.212 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -75.82 102.53 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 172.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -97.58 148.95 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 28' ' ' PHE . 70.9 mt -84.59 121.56 36.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.027 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 m -82.9 81.52 8.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.765 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -110.89 -21.84 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.002 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -89.99 77.32 6.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.1 tp -106.14 -15.96 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.301 0.572 . . . . 0.0 109.703 177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -79.1 143.48 35.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.763 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.1 t60 59.41 65.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -175.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -64.79 130.59 44.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.436 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -58.27 111.23 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.237 -176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -162.26 162.07 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 172.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -92.85 -42.04 9.74 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.312 -176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 78.9 t60 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.669 -0.681 . . . . 0.0 109.484 179.157 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.071 0.462 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -108.27 34.42 3.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 12' ' ' LEU . 29.5 mm 67.31 90.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.278 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 p -124.77 134.62 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.726 -173.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 41.9 t -76.54 140.03 67.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.457 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 14.2 Cg_endo -56.81 -22.61 46.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.434 2.756 . . . . 0.0 113.344 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.83 2.97 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.074 0.464 . . . . 0.0 110.571 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 60.3 m -138.28 68.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.656 0.741 . . . . 0.0 109.764 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -76.63 100.19 5.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.777 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -167.41 -52.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.989 168.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 176.13 156.27 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.213 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 5' ' ' CYS . 41.9 mt -115.89 175.41 5.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -94.5 114.27 26.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 18' ' ' THR . 35.5 ttp180 -78.58 93.53 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.636 0.731 . . . . 0.0 109.607 176.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -107.94 105.05 14.67 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.729 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 37.49 75.64 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.607 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 64.8 13.4 8.44 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.604 0.716 . . . . 0.0 110.647 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 m -111.14 168.05 9.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -110.74 102.57 11.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.199 0.523 . . . . 0.0 111.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -97.07 123.62 40.86 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB2' ' HE2' ' A' ' 28' ' ' PHE . 52.5 t -78.85 125.75 29.79 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.921 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -59.6 -47.02 87.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.269 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -89.59 -37.05 14.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.0 m -84.84 -17.84 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.112 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.74 17.59 9.95 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.497 0.498 . . . . 0.0 111.456 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -94.03 148.63 21.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.49 113.13 26.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.48 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 69.9 m-85 -102.68 121.47 42.49 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.501 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 20.9 t -82.67 147.65 28.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.166 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 19' ' ' ALA . 3.9 mm? -99.68 112.53 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -111.8 134.91 53.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.906 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -79.78 101.22 8.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.334 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 33' ' ' LEU . 4.0 mm? -98.91 143.72 28.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.147 0.499 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 t -103.54 118.7 56.94 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.03 -42.93 37.62 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 114.069 -172.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.43 -20.43 60.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.645 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.9 p -147.53 91.06 1.92 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 0.0 111.114 -173.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 -78.5 82.37 4.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.72 0.771 . . . . 0.0 109.787 177.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -151.86 175.03 3.12 Favored Pre-proline 0 C--N 1.316 -0.875 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.937 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -63.98 95.44 0.2 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.336 1.357 . . . . 0.0 110.648 168.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp -43.95 -53.39 6.22 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.809 0.693 . . . . 0.0 110.802 178.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.571 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 15.8 tp60 169.98 110.5 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 175.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.7 t -78.52 95.04 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.473 0.654 . . . . 0.0 111.445 -169.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 53' ' ' PHE . 25.0 mt -95.22 116.62 28.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.953 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -105.05 135.59 46.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.497 -172.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.89 -154.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.809 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.0 m -74.95 -58.71 3.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.797 0.332 . . . . 0.0 110.613 177.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.87 43.27 1.38 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.447 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.28 135.84 1.69 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.6 m -109.85 129.29 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.78 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -118.89 142.61 47.59 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.985 -174.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 51.9 m-85 -111.2 103.58 12.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.264 0.554 . . . . 0.0 109.544 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 66.1 t80 -132.86 121.89 23.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.772 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.886 ' HB3' ' H ' ' A' ' 59' ' ' GLY . 43.1 m -67.17 116.12 7.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -173.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -111.49 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.759 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.78 -27.73 12.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.835 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -11.02 84.29 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.68 -175.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 9.4 t-160 -174.88 -78.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.849 0.357 . . . . 0.0 110.387 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.886 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 158.03 157.93 8.71 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.7 pt? -57.03 138.63 54.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.308 0.575 . . . . 0.0 111.876 -174.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.8 mm -120.91 139.18 48.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 t -52.68 115.0 1.58 Allowed 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 173.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' HG23 ' A' ' 66' ' ' VAL . 58.4 tttt -64.76 -22.98 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -167.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -75.26 -17.36 60.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.901 0.382 . . . . 0.0 110.445 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -106.94 -0.12 23.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.399 -176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 32' ' ' ALA . 60.4 t -78.53 139.83 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.672 178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -78.99 87.08 4.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.357 . . . . 0.0 111.613 -177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HZ ' ' HE3' ' A' ' 63' ' ' LYS . 48.1 m-85 -77.0 97.36 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -118.96 158.18 20.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.96 -176.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 28' ' ' PHE . 21.4 pt -81.01 70.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.92 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.1 p 54.45 -167.22 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.647 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -142.22 178.17 7.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.73 -69.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HG ' ' H ' ' A' ' 75' ' ' GLU . 14.4 tp 50.38 -149.77 0.26 Allowed 'General case' 0 CA--C 1.535 0.388 0 O-C-N 123.89 0.744 . . . . 0.0 110.734 174.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.8 ' H ' ' HG ' ' A' ' 74' ' ' LEU . 5.6 mp0 -93.93 139.36 31.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -86.04 17.67 3.43 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.137 0.494 . . . . 0.0 110.78 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -92.33 111.95 23.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.685 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -66.26 129.34 39.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.394 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -83.07 75.69 9.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.407 0.622 . . . . 0.0 109.808 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -149.57 132.39 16.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.96 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.348 -0.835 . . . . 0.0 109.876 177.789 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -111.46 131.36 55.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -175.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.5 pt -82.16 113.85 22.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -115.03 132.17 56.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.086 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.655 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.3 p -70.02 135.78 87.31 Favored Pre-proline 0 N--CA 1.456 -0.152 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -66.78 -74.66 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.711 2.274 . . . . 0.0 113.619 -173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -68.43 -26.82 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.026 0.441 . . . . 0.0 111.936 -172.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.811 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 0.4 OUTLIER -105.34 5.86 32.22 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.601 -175.569 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 2.0 t-80 27.89 89.86 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.22 1.808 . . . . 0.0 115.119 170.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 175.46 175.69 0.23 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.395 0.678 . . . . 0.0 109.198 167.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.94 137.98 58.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -176.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.655 HD21 ' HB3' ' A' ' 5' ' ' CYS . 89.0 mt -94.18 156.72 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.525 172.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -123.46 131.83 53.76 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -83.33 87.44 6.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -83.78 106.24 15.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.83 -101.38 0.64 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -169.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -132.73 19.28 4.22 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.63 0.729 . . . . 0.0 109.805 174.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -108.72 153.93 22.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.69 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 30' ' ' LEU . . . -110.77 101.16 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 -177.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 27' ' ' ASP . 75.8 t60 -99.06 137.17 37.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.145 -178.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.597 ' HA ' HD23 ' A' ' 12' ' ' LEU . 63.8 m -79.33 130.98 35.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.112 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -67.82 -35.42 78.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.351 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.4 p -97.42 11.1 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -146.9 145.58 29.87 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.136 -169.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.84 48.39 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.386 0.613 . . . . 0.0 109.859 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -129.68 140.11 51.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.415 -174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' HB3' ' HA ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -146.39 137.23 24.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.072 0.463 . . . . 0.0 109.982 170.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -112.89 157.89 20.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.11 -172.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.6 p -83.44 130.75 35.04 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.38 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 19' ' ' ALA . 66.2 mt -100.1 140.45 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.207 0.527 . . . . 0.0 110.969 -177.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -131.88 115.1 15.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.577 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -69.27 89.1 0.46 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.4 tp -89.46 155.44 19.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' HD21 ' A' ' 41' ' ' LEU . 25.7 p -96.6 129.29 33.42 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 21.4 Cg_exo -65.71 -28.35 52.04 Favored 'Trans proline' 0 C--N 1.322 -0.819 0 C-N-CA 123.763 2.975 . . . . 0.0 112.894 -173.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.54 -64.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.352 -176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.549 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -69.46 -45.51 68.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.57 -179.053 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' N ' ' SG ' ' A' ' 34' ' ' CYS . 53.2 mtp180 57.92 -166.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.441 -173.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.72 ' HA ' HE21 ' A' ' 39' ' ' GLN . 0.0 OUTLIER 75.39 161.95 0.15 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.289 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 9.3 Cg_endo -53.13 112.24 0.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 121.912 1.741 . . . . 0.0 111.722 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD21 ' SG ' ' A' ' 34' ' ' CYS . 24.2 mt -71.42 -166.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.852 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -94.43 114.22 26.21 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.26 97.8 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.227 0.536 . . . . 0.0 110.418 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.06 146.92 31.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.87 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 2.5 mptp? -104.71 126.96 52.31 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -177.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.99 13.97 33.05 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.085 177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.43 82.86 0.16 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.337 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.1 -42.59 1.85 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.44 166.09 15.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.03 163.31 30.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.626 0.25 . . . . 0.0 110.517 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.85 149.47 33.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.105 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 38.6 m-85 -108.13 112.13 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -144.35 133.7 23.17 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 110.203 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.743 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 79.2 m -76.81 122.63 25.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.414 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -107.46 -56.74 2.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 171.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -127.45 156.57 41.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.263 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.34 0.38 57.34 Favored Glycine 0 C--O 1.236 0.258 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.128 176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.743 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 77.6 m-70 -140.54 -87.56 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.259 0.552 . . . . 0.0 110.442 -178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 54' ' ' CYS . . . 143.54 120.56 1.49 Allowed Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 60' ' ' LEU . 4.1 pp -56.68 136.26 54.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.614 0.721 . . . . 0.0 111.45 -173.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.789 HD13 HG22 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.99 124.42 72.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.307 -176.652 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 m -57.0 153.73 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 63' ' ' LYS . 70.4 mmtt -64.03 -19.75 65.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -169.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -85.64 -17.95 34.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.094 0.473 . . . . 0.0 110.716 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.571 ' HB3' HG22 ' A' ' 61' ' ' ILE . 15.5 mmt85 -90.25 -5.34 56.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.129 175.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.789 HG22 HD13 ' A' ' 61' ' ' ILE . 46.1 t -91.3 132.92 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.505 175.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -107.67 103.75 13.12 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 39.3 m-85 -73.41 98.44 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.147 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.97 176.24 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.231 0.538 . . . . 0.0 110.944 -177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.0 mt -102.67 75.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.672 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.4 t 59.06 -160.96 0.27 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.982 -176.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -87.48 -39.89 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 171.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -152.63 136.18 16.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.082 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.0 tp -114.76 89.55 3.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.207 0.527 . . . . 0.0 110.296 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.95 -18.68 12.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.767 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 t60 69.18 108.56 0.05 Allowed 'General case' 0 C--O 1.232 0.183 0 O-C-N 124.026 0.829 . . . . 0.0 109.513 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -68.81 162.07 27.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.057 -172.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -62.55 107.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.197 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -157.58 19.5 0.27 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.074 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 35.6 m170 69.63 -76.95 0.06 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.67 -173.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.945 177.566 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 178.71 149.1 0.22 Allowed 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG13 ' HB2' ' A' ' 12' ' ' LEU . 19.8 pt -97.96 124.58 51.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.475 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 28.0 m -147.28 144.03 28.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.443 -175.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.783 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 17.2 t -63.83 129.49 93.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.33 2.94 2.4 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.035 2.49 . . . . 0.0 113.836 -172.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.91 1.43 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 109.839 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.783 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 57.7 m -132.37 81.37 1.95 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.86 -178.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -59.5 88.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.827 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -149.51 -87.42 0.08 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.767 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 175.23 172.87 0.26 Allowed 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.676 -1.147 . . . . 0.0 108.459 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HG ' ' HA ' ' A' ' 4' ' ' THR . 82.7 mt -119.68 129.4 54.53 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -73.11 111.75 8.51 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -85.56 111.67 20.24 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.407 0.622 . . . . 0.0 110.408 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -85.87 7.92 22.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.094 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.41 -50.35 3.28 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.525 -177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.55 ' HB2' ' HB1' ' A' ' 49' ' ' ALA . 11.7 t70 -94.78 -43.21 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.116 0.484 . . . . 0.0 110.678 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.415 HG21 ' HB3' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -126.05 164.58 20.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.522 -176.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 28' ' ' PHE . . . -113.58 136.52 52.73 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 173.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.484 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 56.2 t60 -120.27 139.85 52.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.526 0.203 . . . . 0.0 111.045 -175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 t -100.41 135.03 42.48 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.76 -18.5 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -85.33 -48.22 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.164 0.507 . . . . 0.0 110.421 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.74 139.87 52.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.57 34.11 0.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.783 -172.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -94.16 128.45 40.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 18' ' ' THR . 28.4 m-20 -100.07 132.4 45.46 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HB3' HG23 ' A' ' 70' ' ' ILE . 96.3 m-85 -98.52 116.22 30.28 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.589 -176.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 m -66.37 119.88 12.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 19' ' ' ALA . 96.5 mt -99.97 124.66 45.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.83 0.348 . . . . 0.0 110.263 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -111.73 120.59 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 110.393 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -78.02 94.81 4.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.949 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 HD21 ' HG3' ' A' ' 38' ' ' ARG . 14.3 tp -94.18 148.23 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.37 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 61' ' ' ILE . 42.0 t -96.48 116.49 66.16 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 37' ' ' CYS . 31.8 Cg_exo -59.54 140.38 93.69 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.496 2.797 . . . . 0.0 111.75 178.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' PRO . 26.6 t70 75.12 -31.64 0.21 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.752 0.658 . . . . 0.0 110.833 -177.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' H ' ' C ' ' A' ' 35' ' ' PRO . 28.9 t -78.72 -80.39 0.12 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.537 177.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 55.6 ttp180 53.38 22.21 2.71 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.782 0.801 . . . . 0.0 110.586 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.808 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.1 mt-30 -79.87 176.59 3.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 19.1 Cg_endo -61.77 83.31 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 54' ' ' CYS . 4.8 mp -62.32 126.98 29.22 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 170.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.619 ' NE2' ' HA ' ' A' ' 54' ' ' CYS . 1.7 mp0 -64.11 124.7 22.32 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -76.28 92.29 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.7 mt -71.91 103.97 3.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.63 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -97.56 123.09 41.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.148 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.65 171.37 8.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.472 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 p -76.89 94.1 3.86 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.023 0.44 . . . . 0.0 110.63 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 135.17 -39.95 1.62 Allowed Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.611 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 17' ' ' ASP . . . -159.16 168.78 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.675 0.238 . . . . 0.0 110.995 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -119.47 169.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.674 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -149.7 131.45 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.531 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 48.4 m-85 -93.07 116.42 29.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.066 0.46 . . . . 0.0 110.019 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' HE2' HD22 ' A' ' 60' ' ' LEU . 12.1 t80 -158.42 113.63 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -173.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 1.8 p -80.26 88.65 5.5 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.402 0.62 . . . . 0.0 110.868 -175.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.562 ' HA ' HD23 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -74.69 -58.74 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.637 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -82.68 -57.89 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.043 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 54' ' ' CYS . . . -73.61 137.88 24.15 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.535 176.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 66.43 -76.86 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.399 0.68 . . . . 0.0 111.497 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 155.56 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.575 -0.821 . . . . 0.0 111.824 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 ' HE2' ' A' ' 53' ' ' PHE . 16.9 mt -48.95 155.65 0.59 Allowed 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.323 -174.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -127.75 132.19 69.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.391 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.3 t -58.68 127.14 30.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 170.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 68.5 mttm -62.38 -15.25 47.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 111.365 -176.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -78.47 -11.17 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' ' HA ' ' A' ' 65' ' ' ARG . 21.3 mmt180 -118.21 0.85 11.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 32' ' ' ALA . 50.7 t -71.19 132.57 33.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -98.09 96.51 8.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.145 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -75.97 107.25 8.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.022 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.67 147.56 7.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.309 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 ' HB3' ' A' ' 28' ' ' PHE . 60.9 mt -83.52 112.22 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.633 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.1 m -100.65 130.99 46.77 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.17 0.509 . . . . 0.0 111.283 -177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 73' ' ' GLN . 14.2 t70 -109.39 -151.13 0.47 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' A' ' 72' ' ' ASP . 28.5 mm-40 61.67 40.89 12.74 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.592 0.234 . . . . 0.0 111.344 174.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 75' ' ' GLU . 9.9 mp -56.43 148.02 20.19 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.747 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 74' ' ' LEU . 53.0 mm-40 71.86 84.91 0.13 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.983 0.802 . . . . 0.0 110.42 -171.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -86.62 -160.91 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.43 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -81.13 141.52 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.285 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.24 137.41 53.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.115 0.483 . . . . 0.0 111.084 -177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.15 137.06 15.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.425 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.63 -66.19 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 60.7 t60 . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.155 178.216 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.48 97.17 8.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.054 0.455 . . . . 0.0 110.414 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 30' ' ' LEU . 25.9 mt -71.27 -54.68 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.899 -178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.4 p 60.68 159.68 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 114.559 -1.2 . . . . 0.0 113.21 177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 37.2 t -101.38 135.61 19.82 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.914 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.93 -34.89 87.92 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.799 2.333 . . . . 0.0 112.838 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.04 23.54 5.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 95.6 m -148.99 -17.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.9 t60 57.0 -97.95 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -166.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 53.97 -162.29 0.12 Allowed 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.425 0.453 . . . . 0.0 110.612 172.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.1 145.88 47.74 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 168.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.514 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 40.1 mt -102.7 121.91 43.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.837 0.351 . . . . 0.0 110.085 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.94 115.1 23.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.388 0.613 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' H ' ' A' ' 16' ' ' GLY . 74.7 ttt180 -81.72 125.2 30.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.652 -175.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -93.03 -5.09 51.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.164 0.507 . . . . 0.0 110.173 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 14' ' ' ARG . . . 136.29 -75.99 0.39 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.541 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -86.94 -38.95 16.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.558 0.694 . . . . 0.0 109.3 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -118.88 152.65 35.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.308 -176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -111.33 127.41 55.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.087 173.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -99.38 119.82 38.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 0.0 111.422 -172.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.49 124.6 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -78.49 -38.51 40.69 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.315 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -59.91 4.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.3 p -103.77 8.9 37.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.524 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.14 77.37 0.22 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.12 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.66 126.41 30.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.452 -178.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.72 108.41 19.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.965 0.412 . . . . 0.0 110.121 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -101.92 112.81 25.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -74.91 135.4 41.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD21 HD13 ' A' ' 3' ' ' ILE . 6.3 mp -102.08 156.96 17.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.216 0.531 . . . . 0.0 110.821 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 31' ' ' GLN . 0.0 OUTLIER -131.75 158.2 41.82 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.463 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . . . -96.35 113.59 25.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.569 0.223 . . . . 0.0 110.578 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD23 ' HG3' ' A' ' 38' ' ' ARG . 10.4 mp -118.09 153.28 34.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.8 m -96.82 146.35 31.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.148 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -65.65 -27.38 53.03 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.378 2.052 . . . . 0.0 111.721 175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.555 ' HB2' ' HE1' ' A' ' 58' ' ' HIS . 4.3 m-20 -83.96 -31.06 25.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.484 -178.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -146.39 120.23 9.3 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.841 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' HG3' HD23 ' A' ' 33' ' ' LEU . 80.0 ttt180 -79.26 84.7 5.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 172.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.554 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 51.1 mt-30 -129.78 174.28 4.77 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.441 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 59.6 Cg_endo -76.13 14.32 1.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 121.61 1.54 . . . . 0.0 110.252 164.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HG ' ' SG ' ' A' ' 54' ' ' CYS . 10.6 mp 59.03 -89.83 0.03 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.786 -177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.64 ' HB3' ' O ' ' A' ' 53' ' ' PHE . 25.2 tp60 -159.82 110.52 1.93 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 t -70.01 111.96 4.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.31 -173.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 53' ' ' PHE . 52.4 mt -104.72 98.07 7.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.371 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HA ' HG12 ' A' ' 50' ' ' VAL . 25.7 mtpp -89.29 92.59 9.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.957 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.36 170.91 8.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.033 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.2 t -85.31 93.7 8.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.87 -26.76 4.45 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.196 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.77 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 45' ' ' LYS . 8.4 m -120.34 113.56 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.221 176.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.79 150.53 28.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.159 0.504 . . . . 0.0 111.051 -177.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' ALA . 85.8 m-85 -108.86 113.89 27.2 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 172.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.64 ' O ' ' HB3' ' A' ' 42' ' ' GLN . 6.5 t80 -153.46 110.23 3.41 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.931 -167.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 58' ' ' HIS . 72.1 m -70.76 88.82 0.73 Allowed 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.404 HE21 ' CD1' ' A' ' 44' ' ' LEU . 70.0 mt-30 -67.26 -69.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.753 0.311 . . . . 0.0 111.448 -177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -104.41 -29.14 10.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.946 -175.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' A' ' 58' ' ' HIS . . . -81.68 35.22 2.49 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.141 -0.552 . . . . 0.0 113.22 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.862 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 3.0 t-160 169.9 -66.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.3 133.15 2.79 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD23 ' H ' ' A' ' 60' ' ' LEU . 1.7 pt? -61.07 96.86 0.05 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 111.102 -175.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.2 mm -76.62 131.9 33.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.398 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 m -57.42 127.37 31.68 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HD2' ' HZ ' ' A' ' 68' ' ' PHE . 50.0 mtmt -64.2 -15.88 60.84 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -175.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -58.38 -31.25 67.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.728 170.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -107.78 0.29 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.515 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 63' ' ' LYS . 75.6 t -78.94 141.17 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.796 0.331 . . . . 0.0 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -83.11 92.22 7.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.027 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HZ ' ' HD2' ' A' ' 63' ' ' LYS . 94.3 m-85 -80.93 97.32 7.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -130.48 164.05 34.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.963 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.09 128.26 30.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -86.86 91.49 8.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -86.09 113.88 22.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.171 0.51 . . . . 0.0 109.669 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -167.94 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.423 0.63 . . . . 0.0 110.101 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 tp -109.92 118.31 36.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.855 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -129.87 -53.76 1.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.019 0.438 . . . . 0.0 109.984 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.88 149.68 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.608 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -77.54 121.44 23.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.118 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -166.54 148.01 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -174.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -61.11 -71.88 0.13 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 110.509 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -135.84 -84.95 0.37 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.362 174.323 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_