data_2kmc_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 2kmc _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 ' 12' ' ' TRP . . . . . 0.615 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 11.3 p-90 . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 110.008 -0.367 . . . . 0.46000000000000002 110.008 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 11.7 pt-20 -84.45 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.208 0.527 . . . . 2.3999999999999999 110.014 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 51.8 tp -112.92 125.76 54.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.747 -0.66 . . . . 1.3899999999999999 109.841 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.66 119.74 35.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.413 0.625 . . . . 1.5700000000000001 110.014 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.42 115.1 48.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.472 -0.785 . . . . 1.04 109.771 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 89' ' ' LEU . 20.4 ttp180 -86.8 111.72 21.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 3.46 109.577 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.536 HG22 ' SD ' ' A' ' 50' ' ' MET . 48.7 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.081 0.467 . . . . 1.1200000000000001 110.936 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.599 ' HB2' HD11 ' A' ' 89' ' ' LEU . 24.7 t70 -97.05 103.89 15.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.678 -0.692 . . . . 0.89000000000000001 109.205 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 1.3500000000000001 109.543 -177.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.972 -0.381 . . . . 1.76 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.502 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 7.5 m -116.97 123.83 47.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 1.21 110.409 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.15 102.42 14.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.274 0.559 . . . . 2.3399999999999999 110.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -103.56 135.2 42.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 1.21 110.535 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -113.97 117.08 30.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 1.1699999999999999 110.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.2 134.92 54.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.95 -0.568 . . . . 1.21 109.782 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 48.2 ttp180 -93.61 110.72 22.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.444 0.64 . . . . 4.2800000000000002 109.564 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 77' ' ' LEU . 16.6 m -110.87 154.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.348 -0.842 . . . . 1.1100000000000001 110.708 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -100.69 14.24 32.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.546 0.689 . . . . 1.96 111.57 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 -41.73 2.2 Favored Glycine 0 C--N 1.308 -0.995 0 CA-C-N 115.04 -0.982 . . . . 0.76000000000000001 112.904 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.08 3.79 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 2.21 111.027 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 77' ' ' LEU . 43.1 tp -78.32 128.02 33.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 1.0600000000000001 109.586 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.889 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 18.9 p-80 -78.51 150.59 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.153 -0.219 . . . . 0.57999999999999996 110.783 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.715 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.3 mm -53.08 -42.28 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 123.143 0.577 . . . . 1.1000000000000001 112.52 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.56 64.84 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.083 -0.579 . . . . 0.28999999999999998 112.839 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -70.85 -39.79 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.764 -0.731 . . . . 0.37 111.471 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HD12 ' A' ' 77' ' ' LEU . 25.9 t -63.33 -43.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 1.1000000000000001 110.03 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.8 mtp -55.06 -42.36 72.62 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.623 -0.717 . . . . 1.48 111.404 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.1 tp -67.0 -42.15 85.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 1.6200000000000001 110.785 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 68.1 mttm -63.9 -35.87 82.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 1.8700000000000001 111.795 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -58.07 -50.22 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 1.54 110.426 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -57.39 -39.11 66.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.087 -0.506 . . . . 1.3 110.992 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.84 -34.79 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 2.3599999999999999 111.193 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 29' ' ' ILE . 14.3 mm100 -65.7 -52.55 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 1.9099999999999999 111.886 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.536 ' SD ' HG22 ' A' ' 18' ' ' VAL . 3.7 mpp? . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 120.61 -0.436 . . . . 1.3799999999999999 110.833 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 40.8 p90 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.563 0.221 . . . . 4.6200000000000001 111.232 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.63 178.62 5.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.119 -0.491 . . . . 1.28 110.51 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 ' HG ' ' A' ' 88' ' ' LEU . 3.3 mm? -96.87 139.92 32.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.158 0.504 . . . . 1.8100000000000001 111.224 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -113.22 114.68 27.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.293 -0.867 . . . . 0.65000000000000002 109.235 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.462 ' HE1' ' HB3' ' A' ' 86' ' ' ALA . 4.0 t90 -83.06 110.05 17.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.34999999999999998 108.814 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.61 -43.15 81.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.835 0.35 . . . . 2.3100000000000001 111.829 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.12 -2.13 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.518 0.562 . . . . 1.6899999999999999 112.518 -172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.81 -11.83 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.741 0.305 . . . . 1.6000000000000001 110.551 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 51.71 74.16 0.27 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.485 -0.78 . . . . 4.0099999999999998 110.829 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 21.3 p -158.76 149.24 19.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.702 -0.681 . . . . 2.3799999999999999 110.682 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -96.12 125.95 41.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.66000000000000003 109.409 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -71.92 104.78 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 1.3300000000000001 109.79 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.31 1.63 10.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.405 -0.816 . . . . 1.3200000000000001 110.056 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -92.77 65.74 4.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.836 -0.802 . . . . 2.4700000000000002 108.836 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.715 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 52.6 p -66.78 -25.09 66.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.784 -1.098 . . . . 1.26 110.658 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -79.08 -4.46 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.892 -1.049 . . . . 3.7000000000000002 110.389 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -104.63 152.05 22.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.88 110.253 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.889 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 48.2 p -84.85 169.4 14.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.172 -0.467 . . . . 1.0700000000000001 110.86 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.508 HD12 HG23 ' A' ' 42' ' ' VAL . 5.9 mp -57.43 -47.17 82.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.98 -0.555 . . . . 1.26 110.621 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.89 -33.16 74.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.443 -0.799 . . . . 1.49 110.999 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -71.42 -40.77 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 2.2999999999999998 110.652 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.91 -36.98 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 1.6399999999999999 110.602 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.54 9.02 34.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.635 -0.793 . . . . 0.34999999999999998 112.474 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.66 117.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.21 0.528 . . . . 1.1299999999999999 110.63 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.615 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 51.8 mt-30 -131.15 -171.8 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.722 -0.672 . . . . 2.7999999999999998 110.462 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.53 -13.13 60.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.457 0.54 . . . . 1.1799999999999999 112.457 -172.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.96 -13.65 60.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.1400000000000001 110.951 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB3' ' HE1' ' A' ' 63' ' ' TRP . . . -111.93 149.9 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.474 . . . . 1.1499999999999999 110.876 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -90.02 139.24 30.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.446 -0.576 . . . . 2.1400000000000001 109.446 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.715 ' HG ' HD11 ' A' ' 61' ' ' LEU . 15.7 tp -125.43 126.42 44.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.099 0.475 . . . . 1.1000000000000001 110.518 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 19' ' ' ASP . 13.7 tp -103.44 131.38 50.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 1.1100000000000001 109.415 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 74.5 t80 -103.6 109.93 21.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.286 -0.635 . . . . 0.52000000000000002 109.286 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.3 t -141.88 138.75 17.34 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 116.27 -0.423 . . . . 1.1899999999999999 110.294 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.633 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 17.0 Cg_exo -67.09 133.52 31.15 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.164 1.91 . . . . 1.4099999999999999 111.284 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.293 0.568 . . . . 2.1099999999999999 109.85 174.721 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.454 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 7.3 p-90 . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.221 -0.289 . . . . 0.46000000000000002 110.221 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.67 117.49 22.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.644 0.735 . . . . 2.3999999999999999 111.334 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 68.0 tp -114.44 134.3 55.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.885 -1.052 . . . . 1.3899999999999999 109.69 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.09 119.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.392 0.615 . . . . 1.5700000000000001 109.962 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -109.29 109.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.684 -0.689 . . . . 1.04 109.503 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.991 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 57.6 mtt180 -84.93 110.39 18.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 3.46 109.713 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 56.3 t -85.34 115.19 26.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.133 -0.485 . . . . 1.1200000000000001 110.614 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.857 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.8 t70 -96.24 133.06 41.04 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.524 -0.762 . . . . 0.89000000000000001 108.985 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 . . . . . 0 C--N 1.317 -0.828 0 CA-C-N 116.19 -0.459 . . . . 1.3500000000000001 110.718 -173.17 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.1 mt-30 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.141 -0.688 . . . . 1.76 109.141 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -77.32 108.12 10.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 1.21 110.47 -172.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.991 ' HB3' ' HG2' ' A' ' 17' ' ' ARG . 7.8 pt-20 -99.22 106.99 19.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 2.3399999999999999 110.724 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 49' ' ' GLN . 47.0 mm -100.93 132.58 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.964 -1.017 . . . . 1.21 110.019 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -98.46 102.14 13.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.473 -0.566 . . . . 1.1699999999999999 109.473 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.69 139.36 41.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 1.21 109.767 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -93.54 109.38 20.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.64 0.733 . . . . 4.2800000000000002 109.619 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.55 150.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.684 -1.144 . . . . 1.1100000000000001 110.654 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.6 p -91.38 157.4 17.12 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.126 -0.488 . . . . 1.96 110.033 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -64.63 -19.36 64.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 0.76000000000000001 112.348 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.36 13.53 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 2.21 111.331 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.9 tp -94.19 124.88 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.926 -0.398 . . . . 1.0600000000000001 109.926 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.681 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 40.4 p-80 -80.61 151.3 29.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.57999999999999996 111.118 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.693 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.1 mm -50.32 -46.28 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.54 0.736 . . . . 1.1000000000000001 112.708 -175.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.61 75.48 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.805 -0.712 . . . . 0.28999999999999998 112.303 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.82 -34.11 56.71 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.257 -0.737 . . . . 0.37 111.257 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -64.61 -44.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.355 -0.609 . . . . 1.1000000000000001 109.355 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.402 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 73.0 mtp -54.15 -44.47 71.44 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.34 -0.845 . . . . 1.48 111.182 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.77 -41.81 87.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.62 -0.718 . . . . 1.6200000000000001 110.444 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.41 -31.11 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.8700000000000001 111.537 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.27 -52.79 62.3 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.858 0.361 . . . . 1.54 110.16 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -55.36 -46.2 78.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.163 0.506 . . . . 1.3 110.397 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.3 -30.65 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.993 -1.003 . . . . 2.3599999999999999 111.401 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' A' ' 29' ' ' ILE . 7.4 tp60 -73.92 -55.11 6.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.305 -0.407 . . . . 1.9099999999999999 111.787 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.445 ' SD ' HG13 ' A' ' 29' ' ' ILE . 3.3 mpp? . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.44 0.533 . . . . 1.3799999999999999 112.44 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.465 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.119 -0.326 . . . . 4.6200000000000001 110.119 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.01 167.57 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.322 -0.399 . . . . 1.28 110.034 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' A' ' 88' ' ' LEU . 1.5 mm? -80.99 129.16 34.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.06 0.457 . . . . 1.8100000000000001 110.336 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -103.66 115.11 29.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.085 -0.709 . . . . 0.65000000000000002 109.085 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.418 ' HB2' HD22 ' A' ' 70' ' ' LEU . 3.7 t90 -81.43 109.17 15.66 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.549 -1.278 . . . . 0.34999999999999998 107.549 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.52 -52.16 29.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.39 -0.823 . . . . 2.3100000000000001 111.203 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.51 -32.13 72.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 1.6899999999999999 111.975 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -90.54 -15.94 29.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.169 -0.212 . . . . 1.6000000000000001 111.248 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 67' ' ' ARG . 13.5 mmt180 59.01 62.1 1.96 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.211 0.529 . . . . 4.0099999999999998 110.626 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.45 148.04 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 2.3799999999999999 110.903 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 93.2 m95 -96.32 128.81 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.975 -0.379 . . . . 0.66000000000000003 109.975 177.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 63' ' ' TRP . 3.6 mm? -83.6 103.16 12.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.429 -0.582 . . . . 1.3300000000000001 109.429 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.3 mt -110.27 -5.75 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.096 -0.705 . . . . 1.3200000000000001 109.096 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.95 66.44 4.4 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.973 -1.012 . . . . 2.4700000000000002 109.046 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.693 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 19.6 p -67.03 -15.34 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 1.26 111.243 -175.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.94 -6.05 49.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.595 -0.729 . . . . 3.7000000000000002 110.42 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 9.1 m0 -90.9 145.53 24.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.644 . . . . 0.88 110.058 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.3 p -88.49 166.19 14.36 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.932 -0.576 . . . . 1.0700000000000001 110.669 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -45.11 77.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.874 0.369 . . . . 1.26 110.512 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -43.28 93.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.55 -0.75 . . . . 1.49 110.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.575 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.6 tptt -72.43 -32.86 66.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 2.2999999999999998 111.268 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.92 -30.84 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.335 . . . . 1.6399999999999999 110.907 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.31 7.48 58.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.34999999999999998 112.425 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.26 119.88 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.547 . . . . 1.1299999999999999 110.58 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.36 -170.28 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.327 -0.851 . . . . 2.7999999999999998 110.86 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.37 -27.91 34.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.1799999999999999 111.419 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.98 1.22 54.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 2.1400000000000001 110.786 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.61 123.17 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 1.1499999999999999 110.0 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -69.03 115.2 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.86 0.362 . . . . 2.1400000000000001 110.324 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 61' ' ' LEU . 20.5 tp -117.87 127.36 53.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.065 -0.516 . . . . 1.1000000000000001 110.337 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.78 144.72 34.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 1.1100000000000001 109.367 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.402 ' HB3' HG21 ' A' ' 18' ' ' VAL . 8.8 t80 -120.05 106.36 11.92 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.52000000000000002 109.128 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.857 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 13.0 t -143.89 152.28 55.02 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.862 -0.421 . . . . 1.1899999999999999 109.862 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 59' ' ' TYR . 10.1 Cg_endo -54.56 137.27 72.87 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.477 2.118 . . . . 1.4099999999999999 111.244 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.54 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 23.5 pt20 . . . . . 0 C--N 1.324 -0.529 0 C-N-CA 120.801 -0.36 . . . . 2.1099999999999999 111.595 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.63 ' CH2' HD22 ' A' ' 77' ' ' LEU . 4.4 p-90 . . . . . 0 N--CA 1.443 -0.779 0 CA-C-O 120.818 0.342 . . . . 0.46000000000000002 110.235 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.1 112.91 18.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.617 0.723 . . . . 2.3999999999999999 110.701 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.5 tp -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.24 -0.891 . . . . 1.3899999999999999 110.018 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 6.2 p -90.09 120.19 38.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.407 0.622 . . . . 1.5700000000000001 109.737 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.515 ' HB ' HD13 ' A' ' 46' ' ' LEU . 41.4 t -119.4 131.28 72.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.743 -0.662 . . . . 1.04 109.413 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 79.5 mtp180 -96.22 116.8 29.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.017 0.436 . . . . 3.46 109.909 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 47.4 t -87.34 115.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.837 -0.62 . . . . 1.1200000000000001 110.637 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.809 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.2 t70 -96.8 106.94 19.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.276 -0.638 . . . . 0.89000000000000001 109.276 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 1.3500000000000001 111.034 -174.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 45.3 mt-30 . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.843 0.354 . . . . 1.76 110.429 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 9.1 m -107.59 137.53 45.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.862 -0.608 . . . . 1.21 110.392 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.4 mp0 -98.41 112.14 24.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.873 0.368 . . . . 2.3399999999999999 110.293 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.44 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.9 mm -111.31 140.15 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 1.21 110.089 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.8 m -121.11 108.48 13.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 1.1699999999999999 110.714 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -109.16 133.84 52.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.953 -0.567 . . . . 1.21 110.401 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -91.07 108.2 19.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 4.2800000000000002 109.076 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 162.59 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.366 -0.833 . . . . 1.1100000000000001 111.075 -172.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -122.92 170.0 10.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.093 -0.706 . . . . 1.96 109.093 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.48 -14.61 62.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.079 -0.581 . . . . 0.76000000000000001 113.429 -173.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.94 -15.37 59.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 2.21 111.145 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 77' ' ' LEU . 40.2 tp -79.8 140.88 36.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.965 -0.383 . . . . 1.0600000000000001 109.965 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.705 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.9 p-80 -90.33 152.02 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.417 -0.356 . . . . 0.57999999999999996 110.776 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 61' ' ' LEU . 22.6 mm -51.96 -45.04 39.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.717 0.636 . . . . 1.1000000000000001 112.717 -175.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.67 -33.25 66.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.917 -0.659 . . . . 0.28999999999999998 112.857 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.59 72.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.939 -0.648 . . . . 0.37 111.572 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 77' ' ' LEU . 41.9 t -64.54 -44.78 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.91 -0.404 . . . . 1.1000000000000001 109.91 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.57 ' HE1' ' HA ' ' A' ' 60' ' ' ALA . 71.0 mtp -55.43 -37.84 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.578 -0.737 . . . . 1.48 111.371 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -40.13 71.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 1.6200000000000001 110.708 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.02 -30.4 71.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.8700000000000001 111.558 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.515 HD13 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -57.8 -53.16 61.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.646 0.26 . . . . 1.54 110.32 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -59.24 -40.89 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 1.3 110.774 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.03 -42.29 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 2.3599999999999999 110.978 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 15.0 mm100 -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.9099999999999999 112.224 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--N 1.328 -0.328 0 C-N-CA 120.587 -0.445 . . . . 1.3799999999999999 110.768 177.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.598 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.5 p90 . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.313 -0.255 . . . . 4.6200000000000001 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -170.59 169.38 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.365 0.416 . . . . 1.28 110.757 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 39' ' ' ILE . 75.7 mt -93.34 127.53 38.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.238 -0.437 . . . . 1.8100000000000001 110.314 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -104.66 114.98 29.55 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.883 -0.598 . . . . 0.65000000000000002 109.619 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -86.81 110.34 19.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.967 -0.753 . . . . 0.34999999999999998 108.967 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.41 -34.23 76.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.762 0.315 . . . . 2.3100000000000001 111.804 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -71.1 -32.64 69.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 1.6899999999999999 111.703 -175.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -106.52 -20.41 13.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.642 -0.253 . . . . 1.6000000000000001 111.048 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 57.89 82.87 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.607 0.718 . . . . 4.0099999999999998 110.718 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -167.39 148.6 5.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.832 -1.077 . . . . 2.3799999999999999 109.813 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.62 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 97.3 m95 -96.76 122.62 39.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.66000000000000003 109.847 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -76.12 103.66 6.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 1.3300000000000001 109.577 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.04 -5.56 10.51 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.533 -0.758 . . . . 1.3200000000000001 109.277 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.82 70.42 5.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 2.4700000000000002 108.948 171.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.4 p -68.99 -19.08 64.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 1.26 111.651 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.72 -12.05 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 3.7000000000000002 110.661 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -80.48 142.25 34.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.88 110.558 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 45.7 p -82.88 164.82 20.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.054 -0.521 . . . . 1.0700000000000001 110.523 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.63 HD22 ' CH2' ' A' ' 12' ' ' TRP . 5.5 mp -59.1 -41.16 87.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.013 0.435 . . . . 1.26 110.624 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.8 -32.99 71.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.49 110.458 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.06 -43.67 78.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 2.2999999999999998 110.426 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.7 m -72.18 -42.56 65.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 1.6399999999999999 110.975 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.76 18.45 15.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.672 -0.775 . . . . 0.34999999999999998 112.381 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.2 115.66 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.125 0.488 . . . . 1.1299999999999999 110.383 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.555 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.5 mt-30 -121.07 -164.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.668 . . . . 2.7999999999999998 110.843 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.9 -21.06 66.42 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.569 0.581 . . . . 1.1799999999999999 112.569 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -95.5 10.95 34.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.871 0.367 . . . . 2.1400000000000001 111.349 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.33 127.29 42.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.478 -0.328 . . . . 1.1499999999999999 110.931 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -72.33 108.9 5.7 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.457 -0.571 . . . . 2.1400000000000001 109.457 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 61' ' ' LEU . 20.3 tp -122.72 126.42 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 1.1000000000000001 110.861 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 19' ' ' ASP . 22.0 tp -112.4 125.53 54.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.778 -0.646 . . . . 1.1100000000000001 109.518 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.598 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 55.0 t80 -103.38 108.88 20.3 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.52000000000000002 109.861 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.809 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.7 t -144.09 151.26 51.68 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.915 -0.584 . . . . 1.1899999999999999 110.232 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 72.7 Cg_exo -51.16 124.71 14.57 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.123 1.882 . . . . 1.4099999999999999 110.448 169.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.62 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 2.9 pt20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 2.1099999999999999 111.69 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.478 ' CH2' HD21 ' A' ' 77' ' ' LEU . 1.1 p-90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.46000000000000002 111.499 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -86.45 104.71 16.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.281 0.562 . . . . 2.3999999999999999 111.027 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 tp -99.62 109.43 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.398 -0.819 . . . . 1.3899999999999999 109.64 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.18 120.28 35.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.327 0.584 . . . . 1.5700000000000001 110.117 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG21 HD21 ' A' ' 88' ' ' LEU . 41.0 t -111.59 121.88 64.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.756 -0.656 . . . . 1.04 109.939 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.859 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 87.0 mtt180 -81.98 112.17 18.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 3.46 109.945 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 38.7 t -89.89 116.86 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.224 -0.444 . . . . 1.1200000000000001 110.492 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 17.8 t70 -111.78 137.44 49.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.744 -0.662 . . . . 0.89000000000000001 109.744 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.119 -0.697 . . . . 1.3500000000000001 109.119 178.53 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 73.9 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.205 0.526 . . . . 1.76 111.798 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -116.89 132.72 56.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.394 -0.821 . . . . 1.21 109.399 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.859 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 48.6 mt-10 -97.49 112.9 24.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.003 0.43 . . . . 2.3399999999999999 110.684 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.606 HG23 ' HG3' ' A' ' 49' ' ' GLN . 38.1 mm -102.19 123.89 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.711 -0.677 . . . . 1.21 110.193 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -96.82 114.09 25.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.051 0.453 . . . . 1.1699999999999999 110.148 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.15 140.13 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 1.21 110.628 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -93.23 108.68 20.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.16 -1.052 . . . . 4.2800000000000002 108.16 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -128.62 150.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.113 0.483 . . . . 1.1100000000000001 111.559 -172.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 p -98.07 154.48 17.69 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.511 -0.768 . . . . 1.96 109.928 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.84 70.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.767 . . . . 0.76000000000000001 112.346 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.16 -4.8 46.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.975 0.417 . . . . 2.21 111.166 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' HD11 ' A' ' 77' ' ' LEU . 51.3 tp -79.61 131.99 36.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.779 -0.452 . . . . 1.0600000000000001 109.779 176.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.782 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -82.29 150.11 27.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.228 -0.442 . . . . 0.57999999999999996 110.438 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.2 mm -51.13 -46.71 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 113.078 0.77 . . . . 1.1000000000000001 113.078 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.97 -28.64 63.9 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.736 -0.745 . . . . 0.28999999999999998 112.426 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.13 -22.17 71.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.042 -0.599 . . . . 0.37 111.617 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG22 HD12 ' A' ' 77' ' ' LEU . 46.4 t -77.85 -49.68 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.273 -0.64 . . . . 1.1000000000000001 109.273 175.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 mtp -56.67 -38.36 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.411 -0.813 . . . . 1.48 111.098 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 tp -61.15 -38.43 86.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 1.6200000000000001 110.674 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 62.4 mttp -67.56 -33.26 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 1.8700000000000001 111.224 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 46' ' ' LEU . 3.5 mm? -57.77 -49.84 75.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.708 0.289 . . . . 1.54 110.819 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.43 -36.7 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 1.3 110.24 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.9 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 2.3599999999999999 111.711 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 27.9 mm-40 -62.07 -53.15 59.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.726 0.298 . . . . 1.9099999999999999 111.788 -175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.645 -0.252 . . . . 1.3799999999999999 110.993 -179.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.0 p90 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.673 0.273 . . . . 4.6200000000000001 110.421 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 93' ' ' GLN . . . -170.63 167.0 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.887 -0.597 . . . . 1.28 109.899 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD21 HD22 ' A' ' 88' ' ' LEU . 15.4 tp -98.88 134.21 42.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.694 -0.484 . . . . 1.8100000000000001 109.694 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -117.29 121.07 40.14 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.053 -0.521 . . . . 0.65000000000000002 110.593 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.534 ' HB2' HD22 ' A' ' 70' ' ' LEU . 4.0 t90 -90.4 110.66 21.75 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.473 -0.936 . . . . 0.34999999999999998 108.473 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.17 -46.91 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.252 -0.431 . . . . 2.3100000000000001 110.854 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.45 -55.03 27.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 1.6899999999999999 111.89 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.7 -11.09 59.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 1.6000000000000001 111.667 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 53.3 76.78 0.19 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.763 0.664 . . . . 4.0099999999999998 111.295 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.64 148.33 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 2.3799999999999999 110.371 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -95.79 122.08 38.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.188 -1.041 . . . . 0.66000000000000003 108.188 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -73.19 102.96 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.227 0.537 . . . . 1.3300000000000001 110.009 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.11 10.42 15.0 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.76 -0.83 . . . . 1.3200000000000001 108.76 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.27 63.81 8.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.852 -1.067 . . . . 2.4700000000000002 108.624 175.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 p -69.23 -19.08 63.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.645 -0.707 . . . . 1.26 111.276 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -88.66 -10.52 48.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 3.7000000000000002 110.062 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 31.7 m0 -93.83 147.74 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.068 -0.515 . . . . 0.88 110.571 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.782 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -91.64 169.6 10.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.694 -0.685 . . . . 1.0700000000000001 110.962 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.54 HD12 HG22 ' A' ' 42' ' ' VAL . 6.1 mp -60.07 -37.78 80.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 1.26 111.263 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.55 -43.0 91.21 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.834 0.349 . . . . 1.49 110.897 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.16 -42.84 93.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 2.2999999999999998 111.244 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -69.84 -36.36 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.02 0.438 . . . . 1.6399999999999999 110.807 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.73 11.01 58.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.34999999999999998 112.69 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.86 125.13 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.85 0.357 . . . . 1.1299999999999999 110.049 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -120.23 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 2.7999999999999998 110.889 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.04 -16.11 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.542 0.571 . . . . 1.1799999999999999 112.542 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -95.5 4.55 53.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 2.1400000000000001 110.801 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.91 129.84 34.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.364 -0.38 . . . . 1.1499999999999999 111.351 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -74.56 108.34 7.25 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.095 -0.706 . . . . 2.1400000000000001 109.095 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.554 HD22 HD21 ' A' ' 61' ' ' LEU . 16.5 tp -119.35 130.22 55.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.849 -0.614 . . . . 1.1000000000000001 110.752 -171.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 17' ' ' ARG . 31.2 tp -118.7 136.9 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.839 -0.619 . . . . 1.1100000000000001 110.257 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -116.34 109.24 17.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.066 -0.716 . . . . 0.52000000000000002 109.066 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.487 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 12.1 t -142.68 151.97 58.39 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 1.1899999999999999 110.42 -174.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.01 116.22 1.85 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.913 2.408 . . . . 1.4099999999999999 112.371 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.1 pt20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 2.1099999999999999 110.946 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.493 ' CH2' HD21 ' A' ' 77' ' ' LEU . 4.0 p-90 . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.753 -0.462 . . . . 0.46000000000000002 109.753 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 115.64 21.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.673 0.749 . . . . 2.3999999999999999 111.309 -174.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.8 tp -115.4 116.56 28.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.151 -0.931 . . . . 1.3899999999999999 109.329 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 5.6 p -85.18 119.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.329 0.585 . . . . 1.5700000000000001 110.284 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.45 122.86 70.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.654 -0.703 . . . . 1.04 109.826 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.597 ' HB2' HD13 ' A' ' 89' ' ' LEU . 70.8 mtp180 -89.96 115.38 27.22 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.862 -0.421 . . . . 3.46 109.862 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.703 HG11 ' HE2' ' A' ' 50' ' ' MET . 43.5 t -88.32 116.44 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.051 0.453 . . . . 1.1200000000000001 111.12 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.819 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 23.1 t70 -102.12 120.33 40.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.502 -0.772 . . . . 0.89000000000000001 109.731 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 108.968 -0.753 . . . . 1.3500000000000001 108.968 178.148 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 82.0 mt-30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 120.938 0.399 . . . . 1.76 110.064 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 20.2 m -105.78 138.24 42.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 1.21 110.333 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.0 mp0 -97.14 103.15 15.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.034 0.445 . . . . 2.3399999999999999 109.919 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.97 109.73 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.907 -0.588 . . . . 1.21 110.436 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.2 m -91.66 113.23 25.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 1.1699999999999999 109.541 177.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 45' ' ' LYS . 91.1 mt -110.53 144.33 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.252 -0.431 . . . . 1.21 110.344 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.74 110.01 21.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.936 -0.764 . . . . 4.2800000000000002 108.936 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.5 m -123.5 158.62 28.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.329 -0.85 . . . . 1.1100000000000001 110.768 -173.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 m -106.06 157.19 17.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.256 -0.429 . . . . 1.96 110.156 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 -18.35 73.13 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.695 -0.764 . . . . 0.76000000000000001 111.366 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.33 -21.03 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.14 -0.53 . . . . 2.21 110.417 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.3 tp -75.54 143.17 42.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.819 -0.628 . . . . 1.0600000000000001 109.998 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.831 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 39.9 p-80 -92.22 156.65 17.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.203 -0.295 . . . . 0.57999999999999996 110.203 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 16.8 mm -54.64 -39.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.767 0.427 . . . . 1.1000000000000001 112.15 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.27 68.45 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.06 -0.591 . . . . 0.28999999999999998 112.24 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -74.84 -32.63 56.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.936 -0.649 . . . . 0.37 111.538 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG23 HD11 ' A' ' 77' ' ' LEU . 32.7 t -65.04 -44.25 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.64 -0.504 . . . . 1.1000000000000001 109.64 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.555 ' HE1' ' HA ' ' A' ' 60' ' ' ALA . 63.9 mtt -54.34 -49.45 69.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.822 -0.626 . . . . 1.48 110.288 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -55.24 -44.75 75.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.991 -1.004 . . . . 1.6200000000000001 110.988 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 65.8 mttm -64.11 -38.28 90.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.37 -0.377 . . . . 1.8700000000000001 111.948 -177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 18' ' ' VAL . 2.9 mm? -61.89 -44.8 96.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 1.54 110.521 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.0 -41.3 87.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.503 . . . . 1.3 110.42 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.2 -48.35 76.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.826 -0.625 . . . . 2.3599999999999999 111.291 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.46 ' HA ' ' OE1' ' A' ' 49' ' ' GLN . 6.5 tp60 -61.02 -53.76 53.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 1.9099999999999999 111.65 -173.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.703 ' HE2' HG11 ' A' ' 18' ' ' VAL . 46.1 mtm . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 1.3799999999999999 110.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.716 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 25.1 p90 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.399 -0.223 . . . . 4.6200000000000001 110.399 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -155.08 167.2 31.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.327 . . . . 1.28 111.173 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.762 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.4 mm? -93.01 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 1.8100000000000001 110.819 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 32.9 t-105 -111.9 112.39 24.01 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.464 -0.789 . . . . 0.65000000000000002 109.358 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.531 ' HB2' HD23 ' A' ' 70' ' ' LEU . 3.7 t90 -82.97 110.26 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 0.34999999999999998 108.586 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -68.68 -41.17 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.67 0.271 . . . . 2.3100000000000001 111.601 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.78 -17.72 64.08 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.955 0.354 . . . . 1.6899999999999999 111.955 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -110.72 -25.15 10.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.73 0.3 . . . . 1.6000000000000001 110.649 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 59.37 72.72 0.51 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.528 -0.76 . . . . 4.0099999999999998 109.757 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -159.12 150.09 19.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.47 -0.786 . . . . 2.3799999999999999 110.147 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -96.42 124.74 40.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.618 -0.512 . . . . 0.66000000000000003 109.618 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 63' ' ' TRP . 3.5 mm? -77.09 104.84 7.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 1.3300000000000001 109.846 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.7 mt -107.26 -15.91 14.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 1.3200000000000001 111.382 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.64 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -78.83 75.5 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.109 0.956 . . . . 2.4700000000000002 109.454 173.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.545 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 59.4 p -68.16 -34.22 75.91 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.663 -1.153 . . . . 1.26 111.905 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.406 ' CD2' ' HD1' ' A' ' 75' ' ' TRP . 8.6 p-80 -83.85 -0.14 49.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.898 -0.321 . . . . 3.7000000000000002 111.499 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.406 ' HD1' ' CD2' ' A' ' 74' ' ' HIS . 21.3 m0 -84.8 137.68 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.096 -0.705 . . . . 0.88 109.096 173.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.831 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 78.1 p -73.83 163.34 28.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 1.0700000000000001 110.752 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD21 ' CH2' ' A' ' 12' ' ' TRP . 6.2 mp -57.88 -41.32 82.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.976 -0.556 . . . . 1.26 110.85 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.6 -37.6 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.372 . . . . 1.49 110.593 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -62.86 -34.49 77.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 2.2999999999999998 110.619 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.73 -42.93 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.476 . . . . 1.6399999999999999 110.679 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.42 -1.91 32.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.34999999999999998 112.321 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' HB1' ' A' ' 86' ' ' ALA . 2.2 p -79.03 113.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.242 0.544 . . . . 1.1299999999999999 110.442 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -112.22 -169.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.797 -0.638 . . . . 2.7999999999999998 110.859 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.98 44.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.552 0.575 . . . . 1.1799999999999999 112.552 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.03 -1.8 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.803 0.335 . . . . 2.1400000000000001 110.796 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB1' HG22 ' A' ' 82' ' ' VAL . . . -91.25 136.84 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.988 0.423 . . . . 1.1499999999999999 111.419 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -84.7 114.97 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.912 -0.773 . . . . 2.1400000000000001 108.912 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.762 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.0 tp -121.86 128.08 51.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 1.1000000000000001 111.335 -172.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 17' ' ' ARG . 14.4 tp -109.23 143.57 38.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 1.1100000000000001 109.064 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 33.9 t80 -120.82 108.57 14.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.052 0.453 . . . . 0.52000000000000002 110.317 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.819 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.32 147.23 39.42 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.966 -0.753 . . . . 1.1899999999999999 108.966 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.716 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 78.1 Cg_exo -51.48 139.56 46.2 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.112 1.875 . . . . 1.4099999999999999 111.479 173.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 122.128 0.966 . . . . 2.1099999999999999 110.319 -178.013 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 9.2 p-90 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 120.956 0.408 . . . . 0.46000000000000002 110.377 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.88 105.67 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.547 . . . . 2.3999999999999999 111.503 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.5 tp -100.16 117.84 35.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.601 -0.727 . . . . 1.3899999999999999 109.741 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.77 118.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.553 0.692 . . . . 1.5700000000000001 110.113 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.05 123.69 71.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.238 -0.892 . . . . 1.04 109.124 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' HD13 ' A' ' 89' ' ' LEU . 57.0 ttt180 -93.99 118.77 31.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.696 -0.483 . . . . 3.46 109.696 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG11 ' HD2' ' A' ' 90' ' ' PHE . 37.0 t -85.42 121.62 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.577 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.852 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 22.9 t70 -97.12 124.82 41.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.915 -0.772 . . . . 0.89000000000000001 108.915 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.326 -0.397 . . . . 1.3500000000000001 111.675 -169.67 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.349 -0.612 . . . . 1.76 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -121.2 130.74 53.85 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.594 -0.275 . . . . 1.21 110.84 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.49 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.47 -0.567 . . . . 2.3399999999999999 109.47 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -101.65 123.86 55.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.83 -0.623 . . . . 1.21 111.254 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -97.94 107.08 19.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.019 -0.537 . . . . 1.1699999999999999 109.974 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HG ' HG22 ' A' ' 29' ' ' ILE . 90.5 mt -107.12 133.8 51.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.214 -0.448 . . . . 1.21 110.187 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -91.82 108.47 19.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.691 -0.855 . . . . 4.2800000000000002 108.691 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.35 146.37 33.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.462 -0.79 . . . . 1.1100000000000001 111.29 -172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -92.73 154.15 18.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.747 -0.66 . . . . 1.96 109.302 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -58.78 -26.62 60.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.084 -0.579 . . . . 0.76000000000000001 112.98 -176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.31 15.06 14.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.694 0.283 . . . . 2.21 111.763 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 tp -85.76 126.59 34.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.518 . . . . 1.0600000000000001 109.603 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.4 p-80 -76.17 146.74 38.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.57999999999999996 111.116 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 HG21 ' HB3' ' A' ' 70' ' ' LEU . 16.6 mm -52.22 -43.21 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.382 0.673 . . . . 1.1000000000000001 112.191 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.56 60.6 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.116 -0.564 . . . . 0.28999999999999998 112.766 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -79.57 -37.22 24.16 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.383 -0.687 . . . . 0.37 111.383 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.19 -43.29 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.549 -0.538 . . . . 1.1000000000000001 109.549 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.44 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 73.0 mtp -54.01 -41.87 68.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.359 -0.837 . . . . 1.48 111.544 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.34 -36.58 79.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.4 . . . . 1.6200000000000001 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.2 mttt -65.66 -32.4 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.8700000000000001 111.248 -176.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -59.0 -52.34 66.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.37 . . . . 1.54 110.157 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.52 -41.53 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 1.3 110.79 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.89 -32.13 73.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.855 -0.611 . . . . 2.3599999999999999 111.591 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 15.2 mm100 -66.57 -54.15 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 1.9099999999999999 111.782 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 C--N 1.328 -0.33 0 C-N-CA 121.027 -0.269 . . . . 1.3799999999999999 111.02 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.661 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.4 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.447 0.165 . . . . 4.6200000000000001 110.628 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.15 170.91 7.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.28 110.281 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.797 HD13 ' HG ' ' A' ' 88' ' ' LEU . 2.0 mm? -91.98 125.81 36.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 1.8100000000000001 111.117 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -102.99 111.2 23.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.65000000000000002 109.573 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -82.79 108.63 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.098 -1.075 . . . . 0.34999999999999998 108.098 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.75 -35.61 75.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 2.3100000000000001 111.439 -171.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 91.9 mt-30 -68.02 -45.78 73.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 1.6899999999999999 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 70.9 mmtt -96.09 -1.52 48.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.059 -0.256 . . . . 1.6000000000000001 111.156 -175.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 54.14 53.17 11.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.024 -0.534 . . . . 4.0099999999999998 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.6 p -142.24 148.07 37.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.391 . . . . 2.3799999999999999 111.272 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.9 132.49 43.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.074 -0.512 . . . . 0.66000000000000003 109.793 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.5 mm? -82.63 103.19 11.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.173 -0.677 . . . . 1.3300000000000001 109.173 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -115.22 -11.6 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.008 -0.542 . . . . 1.3200000000000001 110.924 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.86 79.49 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.631 -0.877 . . . . 2.4700000000000002 108.631 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' SD ' ' A' ' 43' ' ' MET . 18.8 p -67.54 -19.52 65.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.372 -0.831 . . . . 1.26 112.54 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -86.01 -17.42 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 3.7000000000000002 110.494 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -77.0 149.23 35.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.386 -0.37 . . . . 0.88 110.221 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 60.0 p -95.0 174.29 7.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.251 -0.431 . . . . 1.0700000000000001 110.77 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -41.63 90.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.17 0.51 . . . . 1.26 109.646 173.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.73 -37.41 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.128 -0.942 . . . . 1.49 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -69.1 -42.6 75.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 2.2999999999999998 110.627 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.37 -34.89 63.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 1.6399999999999999 111.065 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.47 20.88 25.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.34999999999999998 112.525 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.36 127.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 1.1299999999999999 110.58 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -109.7 -179.62 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.766 -0.652 . . . . 2.7999999999999998 110.104 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.18 66.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.088 0.471 . . . . 1.1799999999999999 110.962 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -83.61 19.76 1.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.779 -0.646 . . . . 2.1400000000000001 111.074 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.04 136.4 49.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.891 0.377 . . . . 1.1499999999999999 111.077 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.461 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 2.8 m-20 -71.91 96.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 2.1400000000000001 109.58 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.797 ' HG ' HD13 ' A' ' 61' ' ' LEU . 14.4 tp -110.77 116.21 30.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.172 0.511 . . . . 1.1000000000000001 110.166 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 17' ' ' ARG . 21.3 tp -108.02 130.21 55.08 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.466 -0.788 . . . . 1.1100000000000001 109.28 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.661 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 63.1 t80 -103.27 107.62 18.52 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.462 -0.57 . . . . 0.52000000000000002 109.462 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.852 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -144.32 151.36 51.09 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 1.1899999999999999 110.212 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.12 144.59 89.79 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.733 2.288 . . . . 1.4099999999999999 111.789 172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 2.1099999999999999 111.224 -175.216 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 17.6 p-90 . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 120.769 0.318 . . . . 0.46000000000000002 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.17 115.36 27.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.172 0.51 . . . . 2.3999999999999999 110.606 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 55.8 tp -94.72 125.23 39.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 1.3899999999999999 110.054 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 p -93.36 119.48 41.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.493 0.663 . . . . 1.5700000000000001 109.837 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.478 ' HB ' HD11 ' A' ' 46' ' ' LEU . 61.9 t -122.58 127.03 74.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.717 -0.674 . . . . 1.04 109.755 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.601 ' O ' HD13 ' A' ' 89' ' ' LEU . 77.8 mtp180 -95.96 120.05 35.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.318 -0.623 . . . . 3.46 109.318 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG11 ' HE2' ' A' ' 50' ' ' MET . 54.9 t -90.89 130.95 39.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.883 -0.598 . . . . 1.1200000000000001 111.329 -175.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.593 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 14.4 t70 -97.75 131.18 44.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.727 -0.842 . . . . 0.89000000000000001 108.727 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--N 1.317 -0.805 0 C-N-CA 120.833 -0.347 . . . . 1.3500000000000001 110.897 -176.094 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 . . . . . 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.294 . . . . 1.76 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -99.25 135.51 40.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.316 -0.402 . . . . 1.21 110.039 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.5 mp0 -97.31 109.0 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 2.3399999999999999 110.425 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.566 HG21 ' HG2' ' A' ' 49' ' ' GLN . 46.5 mm -106.64 136.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.498 -0.774 . . . . 1.21 110.202 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m -120.21 105.34 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.035 0.445 . . . . 1.1699999999999999 110.133 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HG ' HG23 ' A' ' 29' ' ' ILE . 94.8 mt -110.57 144.64 39.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 1.21 110.828 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -92.57 109.29 20.7 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.017 -0.735 . . . . 4.2800000000000002 109.017 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.86 147.48 20.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.097 0.475 . . . . 1.1100000000000001 111.155 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -99.52 157.94 16.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.69 -0.686 . . . . 1.96 109.94 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -25.85 63.87 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.128 -0.558 . . . . 0.76000000000000001 112.34 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -99.96 22.43 11.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.417 0.627 . . . . 2.21 110.541 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.71 121.04 39.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.624 -0.51 . . . . 1.0600000000000001 109.624 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.636 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.3 p-80 -77.24 149.94 35.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.57999999999999996 111.413 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 75' ' ' TRP . 15.5 mm -53.81 -40.1 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 115.737 -0.665 . . . . 1.1000000000000001 111.886 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.8 -31.28 60.75 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.156 -0.545 . . . . 0.28999999999999998 112.598 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.43 -38.21 29.34 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.273 -0.731 . . . . 0.37 111.273 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.91 -42.35 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.631 -0.507 . . . . 1.1000000000000001 109.631 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' HG22 ' A' ' 73' ' ' THR . 74.3 mtp -52.4 -50.56 62.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.697 -0.683 . . . . 1.48 111.326 177.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.35 -37.85 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 1.6200000000000001 110.879 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 36.9 mttp -66.75 -30.68 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 1.8700000000000001 111.809 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.1 mm? -58.17 -48.68 79.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 1.54 109.945 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.98 -41.37 89.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 1.3 110.319 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 34.3 tt0 -60.28 -45.26 93.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 2.3599999999999999 111.525 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.566 ' HG2' HG21 ' A' ' 29' ' ' ILE . 8.5 tp-100 -64.7 -38.37 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.888 -0.597 . . . . 1.9099999999999999 111.152 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.469 ' HE2' HG11 ' A' ' 18' ' ' VAL . 68.9 mtm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 1.3799999999999999 111.062 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 30.2 p90 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.36 -0.237 . . . . 4.6200000000000001 110.36 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.59 174.79 14.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.745 0.307 . . . . 1.28 110.702 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.9 mm? -94.38 133.35 38.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.254 0.549 . . . . 1.8100000000000001 111.09 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -110.58 110.66 21.45 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.65000000000000002 109.166 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.82 108.74 16.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.888 -1.153 . . . . 0.34999999999999998 107.888 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -67.64 -40.07 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 2.3100000000000001 110.925 -172.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.31 -23.14 64.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.808 -0.633 . . . . 1.6899999999999999 111.491 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -104.81 -13.92 15.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.556 -0.293 . . . . 1.6000000000000001 110.924 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 57.05 41.78 26.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.316 0.579 . . . . 4.0099999999999998 110.154 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -131.38 149.3 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.339 -0.846 . . . . 2.3799999999999999 110.868 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.409 ' CZ3' ' HB3' ' A' ' 93' ' ' GLN . 88.7 m95 -95.7 135.75 36.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 0.66000000000000003 109.235 176.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.78 104.26 13.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.001 0.429 . . . . 1.3300000000000001 110.145 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -111.49 -1.37 15.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.757 -0.656 . . . . 1.3200000000000001 109.528 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HD3' ' CE3' ' A' ' 75' ' ' TRP . 51.1 mttp -80.31 69.46 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.181 -0.918 . . . . 2.4700000000000002 109.273 174.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' SD ' ' A' ' 43' ' ' MET . 34.0 p -65.19 -31.37 72.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.089 -0.96 . . . . 1.26 111.88 -173.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -85.33 -11.47 54.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 3.7000000000000002 110.623 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.445 ' CE3' ' HD3' ' A' ' 72' ' ' LYS . 15.6 m0 -85.72 151.81 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.505 . . . . 0.88 109.887 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.5 p -94.23 175.9 6.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.628 -0.26 . . . . 1.0700000000000001 111.088 -176.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -48.21 82.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.155 0.503 . . . . 1.26 109.884 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.48 -39.38 94.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.455 -0.793 . . . . 1.49 110.663 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 58.6 tptt -67.03 -39.23 86.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 2.2999999999999998 111.262 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.83 -37.18 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 1.6399999999999999 111.136 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.67 5.76 41.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.34999999999999998 112.665 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.38 131.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.957 0.408 . . . . 1.1299999999999999 110.449 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.56 -175.54 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.618 . . . . 2.7999999999999998 110.268 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.0 65.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.43 . . . . 1.1799999999999999 111.578 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.93 -16.23 55.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 2.1400000000000001 111.197 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.31 137.33 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.448 -0.342 . . . . 1.1499999999999999 111.453 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -74.79 107.94 7.21 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.072 -0.513 . . . . 2.1400000000000001 110.049 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.672 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.9 tp -113.71 125.81 54.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 1.1000000000000001 110.507 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 17' ' ' ARG . 21.4 tp -104.99 137.62 42.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.774 -0.648 . . . . 1.1100000000000001 109.532 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 61.3 t80 -109.22 109.7 20.71 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.524 -0.47 . . . . 0.52000000000000002 109.882 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.593 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 6.5 t -142.67 142.14 22.13 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.262 -0.427 . . . . 1.1899999999999999 110.447 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.701 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 55.9 Cg_endo -72.87 134.47 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.202 1.935 . . . . 1.4099999999999999 111.804 174.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 69' ' ' TRP . 9.6 pt20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 121.44 0.638 . . . . 2.1099999999999999 109.846 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.554 ' CH2' HD22 ' A' ' 77' ' ' LEU . 5.4 p-90 . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 109.613 -0.514 . . . . 0.46000000000000002 109.613 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 30' ' ' THR . 12.3 pt-20 -88.55 122.82 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.559 0.695 . . . . 2.3999999999999999 110.543 -177.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 84' ' ' ALA . 65.1 tp -111.86 118.0 34.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.081 -0.963 . . . . 1.3899999999999999 110.146 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG21 ' HG3' ' A' ' 28' ' ' GLU . 3.0 p -82.4 119.09 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.428 0.632 . . . . 1.5700000000000001 109.981 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.596 ' HB ' HD21 ' A' ' 46' ' ' LEU . 41.1 t -106.16 122.23 59.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 1.04 109.2 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' O ' HD11 ' A' ' 89' ' ' LEU . 8.3 mpt_? -81.68 111.32 17.84 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.147 -0.686 . . . . 3.46 109.147 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 27' ' ' THR . 42.6 t -94.9 113.29 29.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 120.902 0.382 . . . . 1.1200000000000001 110.966 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 125.36 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.965 -0.561 . . . . 0.89000000000000001 109.553 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 120.224 -0.59 . . . . 1.3500000000000001 110.323 -178.386 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.438 -1.046 0 CA-C-O 121.124 0.488 . . . . 1.76 109.699 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.532 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 21.6 m -86.74 141.56 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.535 -0.757 . . . . 1.21 110.902 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' HG3' HG21 ' A' ' 15' ' ' VAL . 21.7 tt0 -98.65 110.66 23.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.027 0.442 . . . . 2.3399999999999999 109.845 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.46 104.37 16.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 1.21 109.324 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 6.7 m -96.09 107.06 19.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.777 -0.647 . . . . 1.1699999999999999 109.899 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.071 -0.513 . . . . 1.21 110.368 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.599 -1.26 . . . . 4.2800000000000002 107.599 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.8 m -131.24 164.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.225 0.536 . . . . 1.1100000000000001 111.85 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -126.91 157.21 40.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.96 109.743 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.646 ' HA3' ' OD2' ' A' ' 78' ' ' ASP . . . -61.87 -19.39 58.63 Favored Glycine 0 N--CA 1.454 -0.149 0 C-N-CA 121.151 -0.547 . . . . 0.76000000000000001 113.562 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.75 -3.92 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.681 0.276 . . . . 2.21 111.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 77' ' ' LEU . 54.3 tp -83.63 139.09 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.681 -0.489 . . . . 1.0600000000000001 109.681 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 45.6 p-80 -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.78 0.324 . . . . 0.57999999999999996 111.115 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.0 mm -54.11 -41.78 52.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.561 -0.745 . . . . 1.1000000000000001 112.593 -175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -31.11 66.3 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.992 -0.623 . . . . 0.28999999999999998 112.349 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.42 -40.76 47.25 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.266 -0.733 . . . . 0.37 111.266 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.672 HG23 HD13 ' A' ' 77' ' ' LEU . 41.4 t -61.32 -44.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 1.1000000000000001 109.983 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.626 ' HA ' HD11 ' A' ' 46' ' ' LEU . 64.0 mtp -60.23 -39.44 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.485 -0.779 . . . . 1.48 110.941 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -71.25 -43.31 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 1.6200000000000001 110.787 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.77 -28.52 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 1.8700000000000001 111.192 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 43' ' ' MET . 42.7 mt -62.27 -51.67 66.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.339 -0.391 . . . . 1.54 110.897 176.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.54 -39.08 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 1.3 110.262 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.7 -43.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.803 -0.635 . . . . 2.3599999999999999 110.608 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.19 -46.65 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.624 . . . . 1.9099999999999999 110.537 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 C--O 1.233 0.214 0 CA-C-N 116.055 -0.521 . . . . 1.3799999999999999 110.763 179.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 5.5 p90 . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 122.107 0.956 . . . . 4.6200000000000001 112.906 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -155.26 159.67 40.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 1.28 110.634 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 88' ' ' LEU . 22.3 tp -92.75 141.83 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.559 -0.534 . . . . 1.8100000000000001 109.559 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -123.91 123.0 39.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.091 0.472 . . . . 0.65000000000000002 110.633 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.4 t90 -89.08 110.46 21.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.108 -0.701 . . . . 0.34999999999999998 109.108 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.89 -35.83 79.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 2.3100000000000001 111.727 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.729 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 24.2 mt-30 -84.84 3.48 37.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.57 -0.286 . . . . 1.6899999999999999 111.712 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.7 -30.53 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.151 -0.22 . . . . 1.6000000000000001 111.495 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 64.87 80.32 0.23 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.287 0.565 . . . . 4.0099999999999998 110.291 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -168.76 148.19 4.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 2.3799999999999999 109.831 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -96.04 122.63 39.07 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.66000000000000003 109.002 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.8 mm? -75.49 103.5 5.65 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.552 -0.536 . . . . 1.3300000000000001 109.552 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -108.16 -2.01 19.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.392 -0.966 . . . . 1.3200000000000001 108.392 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 88.1 mttt -76.93 59.54 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.348 -1.296 . . . . 2.4700000000000002 109.343 174.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -67.85 -25.46 65.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 1.26 111.374 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -89.67 0.39 56.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 3.7000000000000002 110.688 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 11.4 m0 -92.39 144.19 25.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.88 109.367 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.768 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 53.9 p -84.82 169.75 13.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.945 0.402 . . . . 1.0700000000000001 111.222 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD13 HG23 ' A' ' 42' ' ' VAL . 4.9 mp -58.07 -48.84 78.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.821 -0.627 . . . . 1.26 111.245 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.646 ' OD2' ' HA3' ' A' ' 35' ' ' GLY . 1.9 m-20 -70.53 -30.01 66.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.493 -0.322 . . . . 1.49 110.945 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 56.0 tptt -64.55 -40.99 96.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.98 0.419 . . . . 2.2999999999999998 110.401 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -79.14 -33.16 44.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.6399999999999999 110.61 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.66 20.02 20.7 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.684 -0.769 . . . . 0.34999999999999998 112.415 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.34 118.54 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 1.1299999999999999 110.576 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -105.93 -173.0 2.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.451 -0.795 . . . . 2.7999999999999998 110.877 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -71.67 -30.25 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.411 . . . . 1.1799999999999999 110.839 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.41 44.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.805 0.812 . . . . 2.1400000000000001 109.867 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.54 127.6 37.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 1.1499999999999999 110.302 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.729 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 5.1 m-20 -65.21 110.85 2.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.271 -0.422 . . . . 2.1400000000000001 110.016 177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.573 HD22 HD23 ' A' ' 61' ' ' LEU . 20.5 tp -123.79 127.04 47.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 1.1000000000000001 110.48 -174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 17' ' ' ARG . 25.3 tp -115.47 148.51 39.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.653 -0.703 . . . . 1.1100000000000001 109.698 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -125.97 110.83 14.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.247 -0.649 . . . . 0.52000000000000002 109.247 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -141.52 140.3 20.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.986 -0.552 . . . . 1.1899999999999999 110.13 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 34.5 Cg_endo -65.79 132.62 31.1 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.243 1.962 . . . . 1.4099999999999999 111.621 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.418 0.628 . . . . 2.1099999999999999 110.267 179.539 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.664 ' CH2' HD21 ' A' ' 77' ' ' LEU . 3.8 p-90 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.879 0.371 . . . . 0.46000000000000002 111.541 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -81.58 110.53 17.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 2.3999999999999999 111.167 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.6 tp -104.21 119.59 39.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.117 -0.697 . . . . 1.3899999999999999 109.117 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -92.22 119.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.616 0.722 . . . . 1.5700000000000001 109.994 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.573 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 57.0 t -116.09 112.69 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.469 -0.787 . . . . 1.04 109.337 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.753 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 39.3 mtm180 -87.28 111.55 21.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.011 -0.54 . . . . 3.46 110.093 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.613 HG13 ' HE1' ' A' ' 50' ' ' MET . 39.7 t -83.17 112.03 20.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.973 -0.558 . . . . 1.1200000000000001 110.762 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.35 105.32 17.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.485 -0.78 . . . . 0.89000000000000001 109.583 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.01 -0.541 . . . . 1.3500000000000001 109.748 -179.032 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.14 0.495 . . . . 1.76 110.252 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 26.6 m -78.41 128.04 33.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.54 -0.755 . . . . 1.21 110.286 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.753 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.4 mt-10 -97.7 101.1 12.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.164 0.506 . . . . 2.3399999999999999 110.493 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.442 HG21 ' HG2' ' A' ' 49' ' ' GLN . 50.4 mm -96.85 122.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.509 -0.768 . . . . 1.21 110.181 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m -100.0 102.92 14.42 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.168 -0.469 . . . . 1.1699999999999999 109.905 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' HG ' HG23 ' A' ' 29' ' ' ILE . 91.0 mt -104.4 140.55 37.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.24 -0.436 . . . . 1.21 110.541 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 32' ' ' ARG . 37.8 ttp180 -95.61 107.9 20.13 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.937 -0.764 . . . . 4.2800000000000002 108.937 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.4 159.39 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.874 -0.603 . . . . 1.1100000000000001 111.406 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -115.4 162.04 17.7 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.457 -0.571 . . . . 1.96 109.457 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -61.51 -25.83 65.69 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.401 -0.428 . . . . 0.76000000000000001 114.167 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.82 -7.08 50.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.181 0.491 . . . . 2.21 111.82 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HD11 ' A' ' 77' ' ' LEU . 52.5 tp -79.03 137.03 37.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.498 -0.556 . . . . 1.0600000000000001 109.498 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.873 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -85.55 150.11 24.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.178 -0.209 . . . . 0.57999999999999996 110.594 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.736 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.6 mm -54.32 -38.8 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 122.941 0.497 . . . . 1.1000000000000001 112.162 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.63 -30.05 71.28 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.812 -0.709 . . . . 0.28999999999999998 112.235 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.77 -35.44 54.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.209 -0.756 . . . . 0.37 111.209 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.679 HG22 HD12 ' A' ' 77' ' ' LEU . 42.0 t -63.04 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.54 -0.541 . . . . 1.1000000000000001 109.54 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.762 ' HE3' ' HA ' ' A' ' 60' ' ' ALA . 52.6 ttm -54.1 -47.37 71.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.573 -0.739 . . . . 1.48 110.612 177.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.9 -38.97 93.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.808 -0.633 . . . . 1.6200000000000001 110.894 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.22 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.452 -0.34 . . . . 1.8700000000000001 111.776 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.3 mm? -62.42 -46.84 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 1.54 110.269 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.97 -41.24 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 1.3 110.077 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.27 -38.34 83.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 2.3599999999999999 111.399 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HG2' HG21 ' A' ' 29' ' ' ILE . 9.0 tp-100 -72.5 -31.75 65.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.292 -0.413 . . . . 1.9099999999999999 111.598 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.613 ' HE1' HG13 ' A' ' 18' ' ' VAL . 69.8 mtm . . . . . 0 C--N 1.324 -0.526 0 C-N-CA 120.845 -0.342 . . . . 1.3799999999999999 111.709 -177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.455 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.252 0.093 . . . . 4.6200000000000001 111.252 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.762 ' HA ' ' HE3' ' A' ' 43' ' ' MET . . . -156.33 175.65 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 1.28 111.576 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.679 HD13 ' HG ' ' A' ' 88' ' ' LEU . 2.3 mm? -91.77 142.14 27.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.923 -0.581 . . . . 1.8100000000000001 110.998 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -118.75 118.93 32.92 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.492 -0.776 . . . . 0.65000000000000002 109.089 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.512 ' HB2' HD22 ' A' ' 70' ' ' LEU . 3.8 t90 -82.19 110.22 17.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.093 -1.077 . . . . 0.34999999999999998 108.093 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.76 -36.62 80.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.575 -0.739 . . . . 2.3100000000000001 111.543 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -74.09 -31.03 62.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.998 -0.546 . . . . 1.6899999999999999 111.741 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 74.9 mmtt -103.35 -11.19 18.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.6000000000000001 110.776 -175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 58.06 55.0 5.5 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.385 0.612 . . . . 4.0099999999999998 110.558 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.0 p -145.73 151.58 38.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 2.3799999999999999 110.566 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -94.48 132.52 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.35 -0.611 . . . . 0.66000000000000003 109.35 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 63' ' ' TRP . 3.4 mm? -82.37 103.16 11.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.093 0.473 . . . . 1.3300000000000001 109.747 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.2 mt -103.33 4.39 36.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.61 -0.885 . . . . 1.3200000000000001 108.61 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 60.8 mttp -85.35 51.45 2.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.395 -1.275 . . . . 2.4700000000000002 109.577 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 23.7 p -67.5 -27.46 67.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 1.26 111.464 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.17 -15.14 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.326 0.584 . . . . 3.7000000000000002 110.156 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 8.9 m0 -87.0 151.64 23.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.769 -0.65 . . . . 0.88 109.638 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.873 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.8 p -85.48 166.64 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.385 -0.37 . . . . 1.0700000000000001 111.049 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 42' ' ' VAL . 6.4 mp -58.14 -43.17 87.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 1.26 110.435 176.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.4 -33.98 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 1.49 110.695 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -67.92 -44.84 75.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 2.2999999999999998 110.354 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.23 -52.4 23.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 1.6399999999999999 111.065 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.44 5.41 12.75 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.582 -0.818 . . . . 0.34999999999999998 112.687 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.84 114.99 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.183 0.516 . . . . 1.1299999999999999 110.311 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.0 -166.6 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.766 -0.652 . . . . 2.7999999999999998 111.215 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 12' ' ' TRP . . . -61.73 -32.67 72.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.921 0.711 . . . . 1.1799999999999999 112.921 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -80.36 2.12 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.599 0.238 . . . . 2.1400000000000001 111.614 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.2 127.38 41.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.029 0.442 . . . . 1.1499999999999999 112.011 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.38 116.63 14.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.74 -0.663 . . . . 2.1400000000000001 109.927 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 61' ' ' LEU . 14.2 tp -116.94 131.03 57.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.125 0.488 . . . . 1.1000000000000001 110.375 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' A' ' 17' ' ' ARG . 21.8 tp -111.36 137.17 49.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 1.1100000000000001 109.473 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.733 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 2.8 t80 -110.14 107.55 17.41 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.52000000000000002 108.805 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 t -144.5 150.08 46.29 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.453 -0.34 . . . . 1.1899999999999999 110.477 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.37 133.73 16.39 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.918 1.745 . . . . 1.4099999999999999 111.666 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.058 0.456 . . . . 2.1099999999999999 110.625 179.618 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 5.0 p-90 . . . . . 0 N--CA 1.442 -0.843 0 CA-C-O 120.808 0.337 . . . . 0.46000000000000002 110.658 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER -83.78 124.67 31.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.413 0.625 . . . . 2.3999999999999999 110.379 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 84' ' ' ALA . 54.7 tp -119.48 119.55 34.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.306 -0.861 . . . . 1.3899999999999999 109.889 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.36 120.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.324 0.583 . . . . 1.5700000000000001 109.48 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.601 ' HB ' HD11 ' A' ' 46' ' ' LEU . 47.5 t -111.17 126.59 68.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.774 -0.648 . . . . 1.04 109.592 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -86.93 112.14 21.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.209 -0.451 . . . . 3.46 110.119 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 HG12 ' HE3' ' A' ' 50' ' ' MET . 61.7 t -85.45 115.56 27.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 1.1200000000000001 110.178 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.694 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.8 t70 -96.47 104.15 16.11 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.324 -0.621 . . . . 0.89000000000000001 109.324 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.575 -0.528 . . . . 1.3500000000000001 109.575 179.58 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 108.87 -0.789 . . . . 1.76 108.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 m -88.42 124.82 34.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.159 -0.473 . . . . 1.21 110.766 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.11 120.94 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.366 0.603 . . . . 2.3399999999999999 109.592 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.558 HG21 ' HG ' ' A' ' 31' ' ' LEU . 50.0 mm -116.24 120.81 65.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.48 -0.782 . . . . 1.21 110.466 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -100.86 103.78 14.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 1.1699999999999999 110.218 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' HG ' HG21 ' A' ' 29' ' ' ILE . 82.6 mt -111.45 140.77 45.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.865 -0.607 . . . . 1.21 109.654 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 36.8 ttm180 -91.91 113.44 25.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.042 -0.725 . . . . 4.2800000000000002 109.042 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.29 149.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.244 -0.889 . . . . 1.1100000000000001 110.533 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -98.25 157.69 16.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.746 -0.661 . . . . 1.96 109.753 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -62.15 -25.53 66.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.888 -0.672 . . . . 0.76000000000000001 112.861 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.09 10.68 28.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.635 0.255 . . . . 2.21 111.518 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 77' ' ' LEU . 56.4 tp -89.48 124.5 34.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 1.0600000000000001 110.206 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.72 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.3 p-80 -80.34 150.85 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 0.57999999999999996 111.073 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.511 HG22 ' HB3' ' A' ' 70' ' ' LEU . 18.5 mm -50.27 -44.81 23.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.745 0.818 . . . . 1.1000000000000001 112.447 -175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.71 -34.09 75.49 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.817 -0.706 . . . . 0.28999999999999998 112.587 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.03 61.61 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.343 -0.703 . . . . 0.37 111.343 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.98 -48.28 79.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.548 -0.538 . . . . 1.1000000000000001 109.548 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.705 ' HE2' ' HA ' ' A' ' 60' ' ' ALA . 59.8 mtp -55.93 -42.47 76.15 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.509 -0.768 . . . . 1.48 111.423 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.81 -42.08 95.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.972 -0.558 . . . . 1.6200000000000001 110.59 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.48 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.8700000000000001 111.455 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.601 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.1 mm? -59.37 -52.12 66.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.796 0.332 . . . . 1.54 110.434 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.69 -43.29 98.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 1.3 110.567 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -65.14 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 2.3599999999999999 111.319 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 29' ' ' ILE . 7.6 tp60 -60.44 -50.27 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 1.9099999999999999 110.692 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HE3' HG12 ' A' ' 18' ' ' VAL . 62.5 mtm . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.3799999999999999 110.124 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 25.5 p90 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 110.22 -0.289 . . . . 4.6200000000000001 110.22 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.705 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -140.68 159.91 41.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 1.28 110.892 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 HD21 ' A' ' 88' ' ' LEU . 11.8 tp -93.24 133.76 36.13 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.83 -0.623 . . . . 1.8100000000000001 109.752 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -113.34 122.7 48.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.083 -0.508 . . . . 0.65000000000000002 110.648 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.485 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -96.08 109.76 22.12 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.686 -0.857 . . . . 0.34999999999999998 108.686 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 2.3100000000000001 111.608 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.99 -4.94 38.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 1.6899999999999999 111.814 -172.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -123.47 -12.62 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.137 -0.32 . . . . 1.6000000000000001 110.137 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 51.04 65.73 1.39 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.598 -0.728 . . . . 4.0099999999999998 110.339 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -148.65 148.05 29.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.394 -0.821 . . . . 2.3799999999999999 110.404 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 84.8 m95 -96.77 126.58 42.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.66000000000000003 108.797 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 39' ' ' ILE . 4.0 mm? -70.87 103.48 2.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.249 0.547 . . . . 1.3300000000000001 110.033 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -109.91 4.07 21.18 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.623 -0.88 . . . . 1.3200000000000001 108.623 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 43.0 mmtm -86.96 56.37 3.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.566 -1.197 . . . . 2.4700000000000002 108.735 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.473 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 17.6 p -62.13 -25.99 68.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.549 -0.751 . . . . 1.26 112.166 -172.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -84.1 -16.07 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 3.7000000000000002 110.615 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.442 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.6 m0 -79.54 149.27 31.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.88 109.937 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.72 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.5 p -89.79 173.09 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.696 -0.229 . . . . 1.0700000000000001 110.503 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -57.53 -49.22 77.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.242 0.544 . . . . 1.26 110.05 176.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.36 -41.65 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.174 -0.921 . . . . 1.49 110.774 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 85.9 tttt -65.96 -41.52 91.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 2.2999999999999998 111.261 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.28 -40.33 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.447 -0.342 . . . . 1.6399999999999999 110.672 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.98 15.16 17.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.647 -0.787 . . . . 0.34999999999999998 112.42 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.75 121.3 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.305 0.574 . . . . 1.1299999999999999 110.564 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG3' ' H ' ' A' ' 85' ' ' ASP . 15.7 pt20 -112.68 -176.88 3.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 2.7999999999999998 110.36 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 1.1799999999999999 111.549 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' H ' ' HG3' ' A' ' 83' ' ' GLN . 5.0 m-20 -89.43 -14.11 36.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 2.1400000000000001 110.561 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.77 130.85 35.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.073 -0.512 . . . . 1.1499999999999999 111.04 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.7 110.63 6.38 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.601 -0.518 . . . . 2.1400000000000001 109.601 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.516 HD21 HD23 ' A' ' 61' ' ' LEU . 15.3 tp -113.0 129.48 56.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.703 -0.681 . . . . 1.1000000000000001 110.387 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 tp -112.72 148.0 35.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.737 -0.665 . . . . 1.1100000000000001 109.452 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.633 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 54.1 t80 -126.72 110.78 13.51 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.734 -0.469 . . . . 0.52000000000000002 109.734 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.694 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.1 t -142.55 147.23 41.92 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.435 -0.348 . . . . 1.1899999999999999 111.016 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.58 127.89 27.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 1.4099999999999999 110.668 169.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.454 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 3.9 pt20 . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.44 -0.504 . . . . 2.1099999999999999 110.661 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.553 ' CH2' HD21 ' A' ' 77' ' ' LEU . 4.7 p-90 . . . . . 0 N--CA 1.444 -0.747 0 N-CA-C 109.905 -0.406 . . . . 0.46000000000000002 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.58 108.56 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.577 0.703 . . . . 2.3999999999999999 111.306 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 62.8 tp -91.84 125.65 36.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.362 -0.835 . . . . 1.3899999999999999 110.224 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 p -95.51 120.11 44.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.354 0.597 . . . . 1.5700000000000001 109.667 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.454 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.1 t -117.6 128.31 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.722 -0.672 . . . . 1.04 109.975 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.682 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 51.7 mtp180 -91.0 120.7 32.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.065 -0.516 . . . . 3.46 109.896 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG12 ' HE2' ' A' ' 50' ' ' MET . 46.9 t -87.75 121.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 120.921 0.391 . . . . 1.1200000000000001 111.05 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.738 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 16.9 t70 -97.28 106.24 18.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.668 . . . . 0.89000000000000001 109.376 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.143 -0.48 . . . . 1.3500000000000001 110.007 -177.521 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.732 -0.84 . . . . 1.76 108.732 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -117.16 124.56 49.44 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.854 -0.338 . . . . 1.21 111.416 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.682 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.4 mp0 -98.42 107.76 20.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.822 -0.436 . . . . 2.3399999999999999 109.822 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.488 HG22 ' HG ' ' A' ' 31' ' ' LEU . 43.8 mm -105.88 132.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 1.21 111.22 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.9 m -107.96 111.18 23.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.977 0.417 . . . . 1.1699999999999999 110.22 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 29' ' ' ILE . 97.4 mt -116.1 145.25 43.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.124 -0.489 . . . . 1.21 110.496 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -91.15 109.79 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.266 -0.642 . . . . 4.2800000000000002 109.266 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.37 164.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.545 -0.752 . . . . 1.1100000000000001 110.613 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -118.2 165.18 14.12 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.776 -0.453 . . . . 1.96 109.776 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.92 -25.12 74.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.675 -0.774 . . . . 0.76000000000000001 112.79 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -85.55 -2.37 58.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.977 0.417 . . . . 2.21 111.062 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 77' ' ' LEU . 60.9 tp -76.32 127.54 33.07 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.069 -0.715 . . . . 1.0600000000000001 109.069 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.885 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 16.8 p-80 -86.01 155.47 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.658 -0.417 . . . . 0.57999999999999996 110.752 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.768 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.4 mm -50.86 -42.78 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.689 -0.687 . . . . 1.1000000000000001 112.637 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.628 ' HA2' ' HE1' ' A' ' 43' ' ' MET . . . -56.11 -37.08 70.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.155 -0.545 . . . . 0.28999999999999998 113.043 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.61 -35.64 67.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.924 -0.655 . . . . 0.37 111.846 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.633 HG23 HD13 ' A' ' 77' ' ' LEU . 40.8 t -64.42 -47.27 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.713 0.292 . . . . 1.1000000000000001 110.218 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.628 ' HE1' ' HA2' ' A' ' 40' ' ' GLY . 31.6 mtm -59.81 -37.73 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 1.48 110.741 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.2 tp -64.13 -45.31 89.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 1.6200000000000001 110.498 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -64.15 -32.05 73.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 1.8700000000000001 111.339 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -58.3 -45.05 88.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.007 0.432 . . . . 1.54 110.418 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.37 -43.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 1.3 110.522 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.1 mt-10 -61.7 -35.9 79.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.287 -0.415 . . . . 2.3599999999999999 111.128 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 24.6 tp60 -61.36 -45.16 95.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.87 -0.604 . . . . 1.9099999999999999 111.396 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.499 ' HE2' HG12 ' A' ' 18' ' ' VAL . 60.7 mtm . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.3799999999999999 111.208 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 36.6 p90 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.232 -0.284 . . . . 4.6200000000000001 110.232 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HA ' ' SD ' ' A' ' 43' ' ' MET . . . -145.16 157.83 43.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 1.28 111.06 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 88' ' ' LEU . 10.2 tp -95.57 138.91 32.58 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.577 -0.527 . . . . 1.8100000000000001 109.577 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -122.27 119.59 31.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.993 0.425 . . . . 0.65000000000000002 110.385 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.426 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.3 t90 -83.96 111.02 18.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.728 -0.841 . . . . 0.34999999999999998 108.728 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.44 -42.84 87.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 2.3100000000000001 111.517 -175.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 91.0 mt-30 -63.14 -27.44 69.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 1.6899999999999999 111.449 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.51 -9.26 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.233 -0.439 . . . . 1.6000000000000001 111.311 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 38.31 72.77 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.028 0.918 . . . . 4.0099999999999998 110.776 -168.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -150.49 149.57 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.876 -1.057 . . . . 2.3799999999999999 110.262 -171.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -95.17 126.2 40.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.162 -0.681 . . . . 0.66000000000000003 109.162 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 mm? -77.78 103.26 7.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.134 0.492 . . . . 1.3300000000000001 109.752 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -105.05 -8.72 18.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.885 -0.783 . . . . 1.3200000000000001 108.885 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -79.24 52.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.712 -1.131 . . . . 2.4700000000000002 109.175 173.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.768 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 32.7 p -66.05 -22.24 66.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 1.26 111.465 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -86.45 -10.57 53.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 3.7000000000000002 110.6 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.445 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 12.9 m0 -86.88 149.13 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.88 109.779 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.885 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 77.7 p -85.5 166.7 16.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.393 -0.367 . . . . 1.0700000000000001 111.103 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD13 HG23 ' A' ' 42' ' ' VAL . 5.0 mp -57.48 -44.15 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.639 . . . . 1.26 110.923 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.94 -34.26 71.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.086 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 21.2 tptm -70.78 -33.01 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 2.2999999999999998 110.572 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.2 m -77.28 -38.98 49.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.6399999999999999 110.391 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.91 15.37 24.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.745 -0.74 . . . . 0.34999999999999998 112.704 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.02 128.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.777 0.323 . . . . 1.1299999999999999 110.337 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -122.01 -168.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 2.7999999999999998 110.518 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.06 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.394 0.516 . . . . 1.1799999999999999 112.394 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.36 -8.22 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.923 0.392 . . . . 2.1400000000000001 110.58 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -83.21 125.63 31.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.43 . . . . 1.1499999999999999 110.753 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -68.89 109.67 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.197 -0.668 . . . . 2.1400000000000001 109.197 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 61' ' ' LEU . 20.9 tp -119.08 137.58 53.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 1.1000000000000001 110.625 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 17' ' ' ARG . 15.6 tp -117.62 151.92 36.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.756 -0.657 . . . . 1.1100000000000001 109.527 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.646 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.8 t80 -124.9 111.57 15.61 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.561 -0.533 . . . . 0.52000000000000002 109.561 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.738 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -141.17 140.13 20.46 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.44 -0.346 . . . . 1.1899999999999999 110.699 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.94 126.17 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.537 2.158 . . . . 1.4099999999999999 111.748 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.046 0.451 . . . . 2.1099999999999999 110.214 179.214 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.605 ' CH2' HD21 ' A' ' 77' ' ' LEU . 1.4 p-90 . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 110.272 -0.27 . . . . 0.46000000000000002 110.272 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.72 112.36 20.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.976 0.417 . . . . 2.3999999999999999 110.459 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.4 tp -102.83 129.6 49.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 1.3899999999999999 110.299 -178.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 120.08 49.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.21 0.529 . . . . 1.5700000000000001 110.19 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HB ' HD12 ' A' ' 46' ' ' LEU . 83.4 t -112.27 123.75 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.601 . . . . 1.04 110.014 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.536 ' O ' HD13 ' A' ' 89' ' ' LEU . 78.3 mtp180 -88.19 111.24 21.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.077 -0.511 . . . . 3.46 109.901 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 HG13 ' HE2' ' A' ' 50' ' ' MET . 39.0 t -86.09 124.02 39.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.067 0.46 . . . . 1.1200000000000001 110.946 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' HB2' HD12 ' A' ' 89' ' ' LEU . 23.7 t70 -96.55 101.21 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.89000000000000001 109.406 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.63 -0.713 . . . . 1.3500000000000001 109.626 -177.399 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.905 -0.406 . . . . 1.76 109.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -89.52 120.68 31.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 1.21 110.663 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.5 106.99 19.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.526 0.679 . . . . 2.3399999999999999 109.516 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 HG21 ' HG ' ' A' ' 31' ' ' LEU . 41.1 mm -100.13 129.69 50.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.514 -0.766 . . . . 1.21 110.958 -175.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.4 m -102.19 109.96 21.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.009 -0.541 . . . . 1.1699999999999999 109.842 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HG ' HG21 ' A' ' 29' ' ' ILE . 79.9 mt -113.61 139.12 49.28 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.853 -0.612 . . . . 1.21 109.956 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -92.23 108.85 20.26 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.756 -0.831 . . . . 4.2800000000000002 108.756 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.89 163.44 25.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.536 -0.756 . . . . 1.1100000000000001 110.981 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 p -104.33 156.65 17.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.236 -0.438 . . . . 1.96 109.957 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.67 -27.26 72.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.831 -0.699 . . . . 0.76000000000000001 112.282 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.79 10.1 22.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.094 0.473 . . . . 2.21 111.098 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' HD11 ' A' ' 77' ' ' LEU . 60.7 tp -82.52 131.04 35.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.623 -0.51 . . . . 1.0600000000000001 109.623 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 46.4 p-80 -75.64 146.91 39.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.57999999999999996 110.754 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.718 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 17.0 mm -53.77 -37.49 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.924 -0.58 . . . . 1.1000000000000001 112.051 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -27.74 65.09 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.006 -0.616 . . . . 0.28999999999999998 112.812 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.93 -37.48 38.54 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.929 -0.653 . . . . 0.37 111.498 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 HD12 ' A' ' 77' ' ' LEU . 47.6 t -63.85 -44.23 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 110.013 -0.365 . . . . 1.1000000000000001 110.013 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.67 ' HE2' ' HA ' ' A' ' 60' ' ' ALA . 47.5 ttm -52.54 -41.4 63.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.743 -0.662 . . . . 1.48 110.937 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 57.9 tp -68.88 -42.5 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 1.6200000000000001 110.877 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.82 -33.4 75.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.8700000000000001 112.043 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 16' ' ' VAL . 3.7 mm? -59.71 -44.21 93.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.441 . . . . 1.54 110.168 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.31 -37.02 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 1.3 110.684 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 50.8 mt-10 -70.11 -46.6 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.209 -0.45 . . . . 2.3599999999999999 111.368 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 29' ' ' ILE . 6.3 tp-100 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.468 -0.333 . . . . 1.9099999999999999 111.198 -176.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.406 ' HE2' HG13 ' A' ' 18' ' ' VAL . 70.8 mtm . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 109.918 -0.401 . . . . 1.3799999999999999 109.918 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.644 -0.132 . . . . 4.6200000000000001 110.644 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.67 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -174.19 174.26 2.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.043 0.449 . . . . 1.28 111.95 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.6 mm? -95.5 137.12 35.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.511 -0.768 . . . . 1.8100000000000001 110.168 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -108.45 114.68 28.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.997 -0.547 . . . . 0.65000000000000002 109.548 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -85.39 110.69 19.31 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.612 -0.884 . . . . 0.34999999999999998 108.612 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.3 -55.14 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 2.3100000000000001 111.626 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.15 -39.12 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.329 0.492 . . . . 1.6899999999999999 112.329 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -87.71 -13.07 43.46 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.747 0.277 . . . . 1.6000000000000001 111.747 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 54.37 64.99 1.63 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.138 0.494 . . . . 4.0099999999999998 110.208 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -144.96 145.89 31.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 2.3799999999999999 110.988 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -98.43 122.69 41.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.66000000000000003 109.11 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 mm? -77.79 101.19 6.59 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.185 -0.606 . . . . 1.3300000000000001 109.381 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.0 -5.03 11.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.186 -0.915 . . . . 1.3200000000000001 109.034 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -84.5 66.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.812 -1.086 . . . . 2.4700000000000002 108.17 174.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.718 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 10.5 p -74.03 -14.25 60.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.235 -0.893 . . . . 1.26 111.98 -172.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -82.85 -21.4 34.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.972 0.415 . . . . 3.7000000000000002 109.952 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.44 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.9 m0 -75.67 154.05 36.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.575 -0.739 . . . . 0.88 109.667 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.3 p -93.87 168.85 10.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.377 -0.374 . . . . 1.0700000000000001 110.841 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 42' ' ' VAL . 5.7 mp -55.62 -49.92 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 1.26 110.964 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.09 -33.74 75.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.63 . . . . 1.49 110.619 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.7 tptt -66.84 -39.71 87.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 2.2999999999999998 110.688 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.3 m -74.57 -34.58 62.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 1.6399999999999999 110.712 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.15 2.22 35.92 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.741 -0.742 . . . . 0.34999999999999998 112.913 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.55 128.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.977 0.418 . . . . 1.1299999999999999 110.581 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -123.9 -172.98 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 2.7999999999999998 110.657 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.3 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.64 0.607 . . . . 1.1799999999999999 112.64 -171.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -97.85 6.93 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.886 0.374 . . . . 2.1400000000000001 111.305 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.1 129.66 42.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.35 . . . . 1.1499999999999999 110.588 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -70.22 100.64 1.72 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.875 -0.417 . . . . 2.1400000000000001 109.875 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.2 tp -109.09 124.69 51.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 1.1000000000000001 110.533 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 17' ' ' ARG . 32.2 tp -104.36 136.27 44.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.72 -0.673 . . . . 1.1100000000000001 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 6.0 t80 -107.06 108.08 19.39 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.802 -0.814 . . . . 0.52000000000000002 108.802 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.438 ' OG1' ' HD2' ' A' ' 92' ' ' PRO . 9.6 t -142.41 149.54 51.53 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.874 -0.417 . . . . 1.1899999999999999 109.874 -174.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 36.0 Cg_endo -66.2 133.06 31.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.268 1.978 . . . . 1.4099999999999999 111.722 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.701 0.763 . . . . 2.1099999999999999 110.42 177.333 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.529 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 5.6 p-90 . . . . . 0 N--CA 1.446 -0.641 0 CA-C-O 120.709 0.29 . . . . 0.46000000000000002 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -75.73 124.68 27.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 2.3999999999999999 110.617 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.7 tp -120.01 121.73 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.962 -0.563 . . . . 1.3899999999999999 110.137 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.72 119.57 38.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.275 0.56 . . . . 1.5700000000000001 110.004 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' HB ' HD22 ' A' ' 46' ' ' LEU . 44.4 t -115.1 127.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.675 -0.693 . . . . 1.04 109.377 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.67 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.9 mtt180 -93.59 111.7 23.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.345 -0.389 . . . . 3.46 110.101 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.451 HG11 ' HE1' ' A' ' 50' ' ' MET . 42.2 t -86.43 115.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.654 -0.498 . . . . 1.1200000000000001 109.654 177.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' HB2' HD11 ' A' ' 89' ' ' LEU . 11.7 t70 -95.85 100.78 12.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.165 -0.68 . . . . 0.89000000000000001 109.165 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.798 -0.637 . . . . 1.3500000000000001 109.585 -178.099 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.99 0.424 . . . . 1.76 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -78.69 120.77 23.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 1.21 109.951 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.67 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 50.8 mt-10 -97.31 106.16 18.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.671 -0.492 . . . . 2.3399999999999999 109.671 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -107.74 126.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.682 -0.69 . . . . 1.21 110.617 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 m -91.38 114.05 26.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 1.1699999999999999 109.35 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -108.49 145.48 34.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.12 -0.491 . . . . 1.21 110.581 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -91.79 108.08 19.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.074 -1.084 . . . . 4.2800000000000002 108.074 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -131.29 166.02 29.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.933 -0.576 . . . . 1.1100000000000001 111.105 -172.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -140.75 162.39 35.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.61 -0.723 . . . . 1.96 109.775 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -59.79 -25.12 61.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.821 -0.704 . . . . 0.76000000000000001 112.702 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -76.65 -11.68 59.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.689 0.28 . . . . 2.21 111.384 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.9 tp -80.86 135.51 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.824 -0.435 . . . . 1.0600000000000001 109.824 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.737 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.3 p-80 -87.03 150.16 24.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.167 -0.47 . . . . 0.57999999999999996 110.398 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 70' ' ' LEU . 20.5 mm -52.43 -39.04 27.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 C-N-CA 123.014 0.526 . . . . 1.1000000000000001 112.234 -176.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.34 -30.76 68.41 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.015 -0.612 . . . . 0.28999999999999998 112.418 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.67 -29.42 52.29 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.917 -0.658 . . . . 0.37 111.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 77' ' ' LEU . 38.4 t -66.91 -48.06 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.355 . . . . 1.1000000000000001 110.148 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.624 ' HA ' HD12 ' A' ' 46' ' ' LEU . 56.7 mtm -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 1.48 110.435 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.83 -47.66 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.6200000000000001 109.965 175.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.748 ' HA ' ' HG2' ' A' ' 48' ' ' GLU . 40.2 mttp -62.66 -33.78 75.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 1.8700000000000001 111.346 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 43' ' ' MET . 45.4 mt -60.38 -49.27 78.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 1.54 110.775 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.78 -43.51 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 1.3 111.359 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 45' ' ' LYS . 8.3 pt-20 -72.2 -30.48 64.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.184 -0.206 . . . . 2.3599999999999999 111.43 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.02 -53.96 21.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.833 0.349 . . . . 1.9099999999999999 110.48 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.451 ' HE1' HG11 ' A' ' 18' ' ' VAL . 72.1 mtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.3799999999999999 110.083 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.718 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 34.0 p90 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.331 -0.248 . . . . 4.6200000000000001 110.331 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.7 163.2 39.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.027 0.441 . . . . 1.28 110.827 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 88' ' ' LEU . 16.4 tp -90.13 133.2 35.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.988 -0.551 . . . . 1.8100000000000001 109.997 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -117.36 112.81 21.22 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.604 -0.726 . . . . 0.65000000000000002 110.378 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.526 ' HB3' ' HG ' ' A' ' 68' ' ' CYS . 4.5 t90 -83.15 109.0 16.8 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.842 -1.17 . . . . 0.34999999999999998 107.842 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -75.71 -37.46 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.256 . . . . 2.3100000000000001 110.43 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 15.7 mm-40 -56.21 -38.47 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 1.6899999999999999 111.409 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -102.37 -15.85 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 1.6000000000000001 111.472 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 57.99 76.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.047 -0.524 . . . . 4.0099999999999998 110.393 -171.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HG ' ' HB3' ' A' ' 63' ' ' TRP . 25.0 p -163.08 148.68 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.3799999999999999 110.376 -175.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -96.37 139.27 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.245 -0.65 . . . . 0.66000000000000003 109.245 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 63' ' ' TRP . 3.1 mm? -95.89 103.57 15.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.551 -0.537 . . . . 1.3300000000000001 109.551 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.56 -7.1 15.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.392 0.615 . . . . 1.3200000000000001 109.994 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.647 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.86 72.55 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.906 0.86 . . . . 2.4700000000000002 109.303 173.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.444 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 33.0 p -66.17 -22.25 66.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 1.26 111.968 -174.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -87.42 -5.88 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 3.7000000000000002 110.961 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -84.25 144.76 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.723 -0.473 . . . . 0.88 109.723 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 72.9 p -89.76 166.26 13.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.431 -0.349 . . . . 1.0700000000000001 110.902 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 42' ' ' VAL . 7.2 mp -60.74 -34.0 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.463 . . . . 1.26 110.496 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.3 -38.35 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.49 110.244 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -73.17 -36.88 66.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.665 . . . . 2.2999999999999998 111.048 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' HB2' HG11 ' A' ' 82' ' ' VAL . 67.4 m -79.8 -34.2 39.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.518 -0.31 . . . . 1.6399999999999999 111.399 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.03 14.2 52.5 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 0.34999999999999998 112.507 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 86' ' ' ALA . 1.3 p -91.88 122.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 1.1299999999999999 110.213 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 81.0 mt-30 -129.61 -162.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 2.7999999999999998 111.317 -177.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -23.31 67.26 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 112.934 0.716 . . . . 1.1799999999999999 112.934 -172.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.58 1.94 56.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.928 0.394 . . . . 2.1400000000000001 111.709 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . -81.84 109.92 16.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.328 -0.396 . . . . 1.1499999999999999 110.528 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.66 106.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.538 -0.912 . . . . 2.1400000000000001 108.538 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.563 HD23 HD22 ' A' ' 61' ' ' LEU . 13.9 tp -115.48 123.15 47.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 1.1000000000000001 110.985 -169.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 19' ' ' ASP . 24.4 tp -112.33 140.04 47.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.779 . . . . 1.1100000000000001 109.336 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.415 ' HZ ' ' CD2' ' A' ' 59' ' ' TYR . 17.6 t80 -116.73 110.07 17.96 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.121 -0.696 . . . . 0.52000000000000002 109.121 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -141.97 151.29 58.87 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.23 -0.441 . . . . 1.1899999999999999 111.401 -171.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.718 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 9.4 Cg_endo -54.84 136.65 72.88 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.43 2.087 . . . . 1.4099999999999999 110.476 169.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.562 -0.29 . . . . 2.1099999999999999 111.509 -172.033 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.525 ' CH2' HD22 ' A' ' 77' ' ' LEU . 1.9 p-90 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.73 -0.47 . . . . 0.46000000000000002 109.73 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.51 127.2 40.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.434 0.635 . . . . 2.3999999999999999 110.849 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 tp -117.93 115.37 24.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.321 -0.854 . . . . 1.3899999999999999 109.576 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.7 p -84.4 119.31 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.528 0.68 . . . . 1.5700000000000001 109.755 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.92 115.89 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.515 -0.766 . . . . 1.04 109.38 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.599 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 80.6 mtp180 -83.58 110.03 17.9 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.82 -0.808 . . . . 3.46 108.82 177.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' HE1' ' A' ' 50' ' ' MET . 16.7 t -87.99 117.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.025 0.441 . . . . 1.1200000000000001 109.98 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.73 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 18.6 t70 -96.42 113.1 24.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.655 -0.702 . . . . 0.89000000000000001 109.325 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.805 -0.634 . . . . 1.3500000000000001 110.164 -175.743 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.844 0.354 . . . . 1.76 110.601 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -118.33 125.62 50.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.08 -0.509 . . . . 1.21 110.657 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.599 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 51.5 mt-10 -98.76 104.98 17.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.868 0.366 . . . . 2.3399999999999999 110.086 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -109.6 124.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 1.21 110.214 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 9.4 m -97.35 103.82 15.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.744 -0.465 . . . . 1.1699999999999999 109.744 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 46' ' ' LEU . 93.9 mt -93.12 136.43 33.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.017 -0.538 . . . . 1.21 110.907 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -92.54 106.32 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.597 -1.26 . . . . 4.2800000000000002 107.597 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -131.47 156.11 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.238 0.542 . . . . 1.1100000000000001 112.275 -167.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 m -96.67 147.18 24.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.364 -0.834 . . . . 1.96 109.058 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.44 -21.48 64.6 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.621 -0.799 . . . . 0.76000000000000001 112.201 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.2 4.32 23.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.063 0.458 . . . . 2.21 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 77' ' ' LEU . 58.4 tp -86.98 135.31 33.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.141 -0.349 . . . . 1.0600000000000001 110.157 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.964 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -80.85 152.21 28.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.679 -0.237 . . . . 0.57999999999999996 111.012 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.786 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.6 mm -55.25 -43.62 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.905 -0.589 . . . . 1.1000000000000001 112.214 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.1 66.18 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.28999999999999998 112.268 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.59 -31.61 44.67 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.08 -0.808 . . . . 0.37 111.08 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.689 HG22 HD11 ' A' ' 77' ' ' LEU . 88.1 t -65.74 -44.9 93.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 1.1000000000000001 109.357 172.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.533 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 71.8 mtp -56.02 -42.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.495 -0.775 . . . . 1.48 110.87 176.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.29 -39.78 84.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 1.6200000000000001 110.499 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.31 -34.69 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 1.8700000000000001 111.195 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 31' ' ' LEU . 1.8 mm? -63.05 -47.27 83.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.983 0.421 . . . . 1.54 110.143 175.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.8 -47.21 94.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 1.3 110.94 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.19 -27.06 63.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.477 -0.328 . . . . 2.3599999999999999 111.778 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.56 -54.21 9.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 1.9099999999999999 110.778 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.474 ' HE1' HG13 ' A' ' 18' ' ' VAL . 65.9 mtm . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 1.3799999999999999 110.853 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.153 -1.055 . . . . 4.6200000000000001 108.153 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.68 168.19 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.592 -0.443 . . . . 1.28 111.798 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD11 ' HG ' ' A' ' 88' ' ' LEU . 3.1 mm? -86.99 132.51 33.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.749 . . . . 1.8100000000000001 110.302 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -101.91 115.0 29.58 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.67 -0.695 . . . . 0.65000000000000002 109.326 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 3.7 t90 -88.94 109.92 20.66 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.6 -0.889 . . . . 0.34999999999999998 108.6 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -67.84 -50.72 55.11 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.877 0.325 . . . . 2.3100000000000001 111.877 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.48 -38.83 78.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.215 0.45 . . . . 1.6899999999999999 112.215 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 63' ' ' TRP . 5.3 mptp? -91.01 -20.65 21.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.709 0.263 . . . . 1.6000000000000001 111.709 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 56.9 71.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.674 0.609 . . . . 4.0099999999999998 109.936 -171.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -156.49 147.05 21.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.493 -0.776 . . . . 2.3799999999999999 109.96 -175.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -98.68 130.67 45.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.617 -0.512 . . . . 0.66000000000000003 109.617 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.9 mm? -82.14 102.39 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.067 0.461 . . . . 1.3300000000000001 110.119 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 HD22 ' OE1' ' A' ' 93' ' ' GLN . 76.9 mt -111.98 -11.53 13.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.692 -0.855 . . . . 1.3200000000000001 108.692 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -78.86 57.25 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.572 -1.194 . . . . 2.4700000000000002 108.822 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.786 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 9.8 p -70.72 -20.27 62.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 1.26 111.798 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 3.7000000000000002 109.874 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 11.8 m0 -80.99 152.69 27.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 0.88 109.596 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.964 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.2 p -92.83 168.11 11.4 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.714 -0.221 . . . . 1.0700000000000001 111.147 -177.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.689 HD11 HG22 ' A' ' 42' ' ' VAL . 3.9 mp -54.77 -50.99 67.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 1.26 111.008 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.83 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.968 -0.56 . . . . 1.49 110.722 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 22.0 tptm -67.84 -39.67 83.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 2.2999999999999998 110.819 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.06 -29.99 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.861 0.362 . . . . 1.6399999999999999 110.845 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.54 17.69 27.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.704 -0.76 . . . . 0.34999999999999998 112.279 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 86' ' ' ALA . 1.8 p -104.05 125.09 58.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.539 . . . . 1.1299999999999999 110.329 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.436 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 27.3 mt-30 -128.57 -165.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 2.7999999999999998 110.232 -176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.38 67.86 1.05 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.547 0.689 . . . . 1.1799999999999999 110.248 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -158.7 -36.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 2.1400000000000001 109.977 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -76.31 150.52 36.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 1.1499999999999999 112.005 -174.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -97.96 104.36 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.316 -0.994 . . . . 2.1400000000000001 108.316 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.632 ' HG ' HD11 ' A' ' 61' ' ' LEU . 6.5 tp -105.11 115.69 30.69 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.719 -0.673 . . . . 1.1000000000000001 110.654 -171.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 19' ' ' ASP . 20.4 tp -101.89 129.48 48.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.57 -0.741 . . . . 1.1100000000000001 109.623 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 43' ' ' MET . 4.3 t80 -102.96 106.09 16.56 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.74 -0.837 . . . . 0.52000000000000002 108.74 178.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.73 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.75 151.59 53.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 1.1899999999999999 110.677 -172.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 37.1 Cg_endo -66.94 129.38 20.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.397 2.065 . . . . 1.4099999999999999 111.922 176.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' A' ' 71' ' ' LEU . 4.6 pt20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 2.1099999999999999 111.3 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.593 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.1 p-90 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.325 -0.25 . . . . 0.46000000000000002 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -96.23 127.24 42.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 2.3999999999999999 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -112.86 134.63 54.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.269 -0.878 . . . . 1.3899999999999999 110.078 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 5.9 p -97.95 120.6 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.195 0.521 . . . . 1.5700000000000001 110.318 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.6 t -114.66 128.84 71.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.204 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.987 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 91.0 mtt180 -90.77 119.03 30.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 3.46 109.882 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG13 ' HE2' ' A' ' 50' ' ' MET . 39.7 t -102.93 124.68 57.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.704 0.288 . . . . 1.1200000000000001 111.129 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -97.65 132.05 43.65 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.545 -0.909 . . . . 0.89000000000000001 108.545 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 120.864 0.364 . . . . 1.3500000000000001 111.742 -171.15 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.735 0.302 . . . . 1.76 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -78.45 111.33 14.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.23 -0.655 . . . . 1.21 109.23 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.987 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.7 mt-10 -99.33 102.1 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.453 0.644 . . . . 2.3399999999999999 110.473 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 39.3 mm -96.29 140.31 17.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.026 -0.988 . . . . 1.21 111.241 -174.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -103.38 108.41 19.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 1.1699999999999999 109.787 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -108.46 138.36 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.811 0.339 . . . . 1.21 111.192 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -92.72 110.52 21.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.973 -0.751 . . . . 4.2800000000000002 108.973 175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.63 164.29 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.709 -0.678 . . . . 1.1100000000000001 111.327 -171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 p -115.42 159.29 21.32 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.208 -0.664 . . . . 1.96 109.208 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.27 -25.92 68.86 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.751 -0.738 . . . . 0.76000000000000001 112.928 -177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.09 7.31 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.68 0.276 . . . . 2.21 111.598 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.99 123.49 30.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.649 -0.5 . . . . 1.0600000000000001 109.649 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.874 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 34.3 p-80 -78.32 151.73 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.441 -0.345 . . . . 0.57999999999999996 110.798 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.505 HD13 HD12 ' A' ' 70' ' ' LEU . 26.5 mm -50.3 -40.73 18.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.528 -0.76 . . . . 1.1000000000000001 113.027 -173.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.44 -36.07 75.25 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.058 -0.592 . . . . 0.28999999999999998 113.056 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.84 -29.91 60.36 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.734 -0.746 . . . . 0.37 111.865 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.727 HG23 HD13 ' A' ' 77' ' ' LEU . 40.3 t -66.58 -47.12 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.609 0.243 . . . . 1.1000000000000001 110.492 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.14 -36.82 78.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.48 110.552 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.08 -38.66 86.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.913 -0.585 . . . . 1.6200000000000001 110.427 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.8700000000000001 111.489 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.9 mm? -58.94 -52.56 65.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.54 110.084 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.29 -42.66 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 1.3 110.538 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.54 -49.48 77.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.606 -0.725 . . . . 2.3599999999999999 111.236 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 tp-100 -67.98 -43.73 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 1.9099999999999999 111.375 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.499 ' HE2' HG13 ' A' ' 18' ' ' VAL . 72.4 mtm . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 120.994 -0.282 . . . . 1.3799999999999999 111.553 -176.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 52.4 p90 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.626 0.25 . . . . 4.6200000000000001 110.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 155.17 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 1.28 110.626 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 88' ' ' LEU . 13.8 tp -92.13 135.93 33.59 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.836 -0.431 . . . . 1.8100000000000001 109.836 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 38.6 t-105 -122.88 121.11 35.41 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.02 -0.536 . . . . 0.65000000000000002 110.387 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.427 ' HA ' HD11 ' A' ' 88' ' ' LEU . 4.5 t90 -89.38 109.03 19.98 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.379 -0.971 . . . . 0.34999999999999998 108.379 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.71 -35.33 78.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 2.3100000000000001 111.072 -172.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.86 -5.71 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.911 -0.586 . . . . 1.6899999999999999 111.495 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -125.7 -8.18 6.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.559 -0.291 . . . . 1.6000000000000001 111.154 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 14.1 mtp180 49.36 54.87 10.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.432 0.634 . . . . 4.0099999999999998 110.606 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -137.27 148.18 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 2.3799999999999999 110.872 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -95.83 121.98 38.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.217 -1.031 . . . . 0.66000000000000003 108.217 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD12 HD13 ' A' ' 39' ' ' ILE . 60.9 mt -82.06 102.25 10.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.926 -0.768 . . . . 1.3300000000000001 108.926 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.62 -1.12 9.06 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.376 -0.829 . . . . 1.3200000000000001 109.686 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -79.5 74.12 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.452 -0.794 . . . . 2.4700000000000002 108.869 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 p -68.58 -12.74 61.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.363 -0.835 . . . . 1.26 111.881 -174.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -84.39 -7.77 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 3.7000000000000002 109.982 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -95.87 145.85 25.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 0.88 109.902 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.874 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.1 p -96.67 174.5 6.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.328 -0.396 . . . . 1.0700000000000001 110.807 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD13 HG23 ' A' ' 42' ' ' VAL . 4.7 mp -55.56 -51.29 67.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 1.26 110.565 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.83 -37.32 86.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 1.49 110.755 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -67.5 -40.1 85.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.743 -0.662 . . . . 2.2999999999999998 111.023 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -76.41 -37.69 56.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.425 -0.352 . . . . 1.6399999999999999 110.96 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.41 -2.25 29.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.658 -0.782 . . . . 0.34999999999999998 112.485 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -77.95 114.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.192 0.52 . . . . 1.1299999999999999 110.108 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -113.43 -169.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.7 -0.682 . . . . 2.7999999999999998 110.975 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.91 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.107 0.78 . . . . 1.1799999999999999 113.107 -170.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -97.36 5.48 49.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.358 . . . . 2.1400000000000001 111.189 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 129.83 34.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.559 -0.291 . . . . 1.1499999999999999 110.681 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -78.54 122.09 25.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.744 -0.465 . . . . 2.1400000000000001 109.744 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 61' ' ' LEU . 21.1 tp -124.15 144.25 50.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 1.1000000000000001 110.759 -171.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 17' ' ' ARG . 24.9 tp -122.27 146.0 47.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 1.1100000000000001 109.952 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' HB3' HG23 ' A' ' 18' ' ' VAL . 18.7 t80 -123.83 110.9 15.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.251 -0.648 . . . . 0.52000000000000002 109.251 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 t -142.33 148.33 47.16 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.543 . . . . 1.1899999999999999 111.196 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 13.5 Cg_endo -58.6 144.34 97.53 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.147 1.898 . . . . 1.4099999999999999 110.743 170.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.022 0.439 . . . . 2.1099999999999999 110.454 -176.738 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.626 ' CH2' HD21 ' A' ' 77' ' ' LEU . 2.2 p-90 . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 120.709 0.29 . . . . 0.46000000000000002 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -84.73 108.61 17.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.148 0.499 . . . . 2.3999999999999999 110.978 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 54.7 tp -101.99 111.12 23.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.505 -0.771 . . . . 1.3899999999999999 109.471 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -87.49 119.8 35.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.375 0.607 . . . . 1.5700000000000001 110.102 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.7 t -112.76 124.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.624 -0.717 . . . . 1.04 110.141 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.948 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.6 mtt180 -84.09 111.65 19.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 3.46 110.092 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.622 HG11 ' HE2' ' A' ' 50' ' ' MET . 42.3 t -87.04 124.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.481 -0.327 . . . . 1.1200000000000001 110.565 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.794 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.9 t70 -96.92 119.6 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.762 -0.829 . . . . 0.89000000000000001 108.762 175.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 116.201 -0.454 . . . . 1.3500000000000001 111.48 -173.485 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.904 0.383 . . . . 1.76 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 m -101.63 119.36 38.66 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.498 -0.556 . . . . 1.21 109.498 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.948 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 47.8 mt-10 -97.67 101.65 13.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.235 0.541 . . . . 2.3399999999999999 110.145 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.8 122.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.496 -0.774 . . . . 1.21 110.212 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m -97.02 103.68 15.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.1 0.476 . . . . 1.1699999999999999 110.191 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.86 139.75 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 1.21 110.064 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -92.54 109.59 21.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.657 -0.868 . . . . 4.2800000000000002 108.657 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 m -124.89 164.6 23.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.837 -0.62 . . . . 1.1100000000000001 111.394 -170.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -111.04 159.43 17.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.96 110.362 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.22 72.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.842 -0.694 . . . . 0.76000000000000001 112.741 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -91.02 14.72 13.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 2.21 111.769 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -89.88 124.29 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.499 -0.556 . . . . 1.0600000000000001 109.499 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.877 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.8 p-80 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.691 -0.232 . . . . 0.57999999999999996 111.015 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.749 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.7 mm -51.24 -41.94 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.678 -0.692 . . . . 1.1000000000000001 112.715 -173.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.42 78.51 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.818 -0.706 . . . . 0.28999999999999998 112.617 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.69 -6.25 88.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.984 -0.626 . . . . 0.37 111.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.7 HG23 HD13 ' A' ' 77' ' ' LEU . 60.3 t -90.24 -50.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.877 -0.416 . . . . 1.1000000000000001 109.877 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.546 ' HA ' HD22 ' A' ' 46' ' ' LEU . 45.9 mtm -59.84 -34.84 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.963 -0.562 . . . . 1.48 110.659 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 1.6200000000000001 109.984 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.37 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.371 . . . . 1.8700000000000001 111.261 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 43' ' ' MET . 3.4 mm? -60.25 -52.33 65.73 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.922 0.391 . . . . 1.54 110.082 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.41 -39.86 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 1.3 110.635 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.45 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 2.3599999999999999 110.999 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.8 -49.72 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.9099999999999999 111.365 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.622 ' HE2' HG11 ' A' ' 18' ' ' VAL . 67.1 mtm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.325 . . . . 1.3799999999999999 111.52 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 42.4 p90 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.858 -0.423 . . . . 4.6200000000000001 109.858 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HB1' ' HE3' ' A' ' 69' ' ' TRP . . . -156.51 165.25 36.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 1.28 110.86 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 88' ' ' LEU . 10.5 tp -89.24 136.0 33.26 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.705 -0.679 . . . . 1.8100000000000001 109.266 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 55.9 t-105 -113.08 112.4 23.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.024 0.44 . . . . 0.65000000000000002 110.385 -177.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -82.58 109.5 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.228 -1.027 . . . . 0.34999999999999998 108.228 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.94 -37.02 81.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.035 0.445 . . . . 2.3100000000000001 111.393 -172.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.75 -32.51 73.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.051 -0.522 . . . . 1.6899999999999999 111.317 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.13 -15.65 19.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 1.6000000000000001 111.142 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.71 65.14 1.6 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.108 -0.701 . . . . 4.0099999999999998 109.108 -172.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t -148.04 147.46 29.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 2.3799999999999999 110.731 -170.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.47 ' HE3' ' HB1' ' A' ' 60' ' ' ALA . 90.4 m95 -97.58 122.77 41.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.271 -0.64 . . . . 0.66000000000000003 109.271 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.1 mm? -74.76 104.05 5.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 1.3300000000000001 109.927 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.94 -9.45 15.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.472 -0.785 . . . . 1.3200000000000001 108.94 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HD2' ' CE3' ' A' ' 75' ' ' TRP . 50.9 mtmt -78.85 62.49 3.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.902 -1.045 . . . . 2.4700000000000002 109.309 172.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.749 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 40.6 p -69.51 -24.52 63.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.26 111.305 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -79.94 -13.74 59.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 3.7000000000000002 110.416 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 13.4 m0 -86.8 149.94 24.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.559 -0.534 . . . . 0.88 109.559 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.877 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.6 p -88.94 170.76 10.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.453 -0.339 . . . . 1.0700000000000001 111.147 -176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD13 HG23 ' A' ' 42' ' ' VAL . 3.6 mp -56.48 -46.51 80.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 1.26 110.801 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.13 -32.34 68.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.737 -0.665 . . . . 1.49 110.646 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.479 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 57.4 tptt -69.54 -35.16 75.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 2.2999999999999998 110.646 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.66 -23.79 36.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 1.6399999999999999 110.503 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.74 18.37 51.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.069 -0.586 . . . . 0.34999999999999998 112.459 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.85 109.1 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 1.1299999999999999 110.774 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -99.87 -170.09 1.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.282 -0.872 . . . . 2.7999999999999998 110.213 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB1' ' CE3' ' A' ' 12' ' ' TRP . . . -74.09 -4.37 35.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 1.1799999999999999 111.163 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.79 -14.63 44.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 2.1400000000000001 110.576 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.52 135.65 34.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.843 -0.617 . . . . 1.1499999999999999 111.896 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.51 109.48 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.91 -0.774 . . . . 2.1400000000000001 108.91 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 61' ' ' LEU . 14.8 tp -118.17 129.91 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.176 0.513 . . . . 1.1000000000000001 110.996 -173.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 17' ' ' ARG . 9.0 tp -114.9 152.99 31.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.324 -0.853 . . . . 1.1100000000000001 108.898 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -129.83 111.47 12.63 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.642 -0.503 . . . . 0.52000000000000002 109.642 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.794 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 4.6 t -140.86 143.28 31.2 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.394 -0.366 . . . . 1.1899999999999999 110.456 -174.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.642 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 26.1 Cg_exo -62.84 132.58 37.86 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.262 1.974 . . . . 1.4099999999999999 111.356 175.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.223 0.535 . . . . 2.1099999999999999 109.937 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.485 ' CH2' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.787 0.327 . . . . 0.46000000000000002 111.591 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -90.22 115.22 27.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 2.3999999999999999 110.223 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.06 108.68 17.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 1.3899999999999999 110.305 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.16 118.97 34.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.077 0.465 . . . . 1.5700000000000001 109.857 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.418 ' HB ' HD13 ' A' ' 46' ' ' LEU . 43.2 t -114.95 127.32 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.863 -0.608 . . . . 1.04 109.692 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.745 ' HB3' ' HB3' ' A' ' 26' ' ' GLN . 93.5 mtt180 -88.46 110.61 20.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.801 0.334 . . . . 3.46 110.507 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 46.6 t -93.09 113.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 1.1200000000000001 110.398 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.768 ' HB2' ' HG3' ' A' ' 26' ' ' GLN . 27.7 t70 -101.12 128.71 47.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.924 0.393 . . . . 0.89000000000000001 110.078 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.517 -0.92 . . . . 1.3500000000000001 108.517 176.588 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.768 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 1.2 mp0 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 1.76 112.358 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -78.65 132.74 37.17 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.251 -0.648 . . . . 1.21 109.251 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.739 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 37.7 mt-10 -97.88 104.85 16.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.328 0.585 . . . . 2.3399999999999999 110.523 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -101.53 121.03 51.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.347 -0.842 . . . . 1.21 110.437 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -93.84 104.03 16.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 1.1699999999999999 109.979 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.2 mt -95.38 144.67 25.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.716 -0.674 . . . . 1.21 111.156 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -92.35 108.33 19.88 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.746 -1.205 . . . . 4.2800000000000002 107.746 170.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.0 m -129.51 160.39 40.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.048 -0.523 . . . . 1.1100000000000001 110.724 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 m -125.37 162.02 25.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.223 -0.444 . . . . 1.96 110.675 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -65.83 -29.36 74.9 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.922 -0.656 . . . . 0.76000000000000001 112.032 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.31 0.9 47.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.955 0.407 . . . . 2.21 110.91 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 77' ' ' LEU . 51.5 tp -84.86 130.66 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 1.0600000000000001 109.941 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.7 p-80 -84.17 148.7 26.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.57999999999999996 110.825 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 70' ' ' LEU . 15.7 mm -53.78 -37.12 31.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.096 0.559 . . . . 1.1000000000000001 112.283 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.95 -26.79 61.26 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.196 -0.526 . . . . 0.28999999999999998 112.56 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -82.76 -31.47 29.55 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.37 111.74 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.74 HG22 HD13 ' A' ' 77' ' ' LEU . 68.0 t -67.65 -51.3 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.337 0.113 . . . . 1.1000000000000001 111.029 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.614 ' HA ' HD23 ' A' ' 46' ' ' LEU . 43.6 mtm -62.37 -30.87 71.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.958 0.409 . . . . 1.48 110.731 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 tp -70.73 -30.86 67.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 1.6200000000000001 110.489 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 68.3 mttm -66.7 -29.16 69.09 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.3 -0.409 . . . . 1.8700000000000001 111.296 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 43' ' ' MET . 2.7 mm? -60.66 -53.21 60.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 1.54 110.0 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.68 -34.86 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.4 0.619 . . . . 1.3 110.05 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.4 -32.37 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.011 -0.995 . . . . 2.3599999999999999 111.519 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 12.2 mm100 -72.05 -54.47 9.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.114 0.413 . . . . 1.9099999999999999 112.114 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.644 -0.422 . . . . 1.3799999999999999 110.906 -177.656 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.9 p90 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.042 -0.355 . . . . 4.6200000000000001 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.48 162.72 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 1.28 110.464 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD21 HD22 ' A' ' 88' ' ' LEU . 14.7 tp -99.27 139.08 35.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.029 -0.532 . . . . 1.8100000000000001 110.251 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -121.14 118.01 28.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.65000000000000002 110.678 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 65' ' ' GLN . 7.7 t90 -95.67 110.2 22.35 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.985 -0.746 . . . . 0.34999999999999998 108.985 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.24 -22.69 61.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.87 0.693 . . . . 2.3100000000000001 112.87 -170.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.434 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 97.7 mt-30 -87.13 11.53 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.274 0.559 . . . . 1.6899999999999999 111.214 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -142.39 -32.7 0.49 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.449 -0.796 . . . . 1.6000000000000001 109.188 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 61.96 83.78 0.15 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.509 -1.223 . . . . 4.0099999999999998 110.532 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 p -169.65 150.62 4.09 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 113.543 -1.662 . . . . 2.3799999999999999 108.76 -171.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.81 122.12 37.1 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.923 -0.769 . . . . 0.66000000000000003 108.923 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 39' ' ' ILE . 3.8 mm? -69.82 102.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.197 0.522 . . . . 1.3300000000000001 109.77 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -113.7 3.05 15.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.506 -0.77 . . . . 1.3200000000000001 109.035 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 2.5 mptp? -82.17 61.22 5.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.678 -1.146 . . . . 2.4700000000000002 108.645 174.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.454 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 6.1 p -66.28 -28.04 68.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.578 -0.737 . . . . 1.26 112.26 -172.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -86.01 -13.16 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 3.7000000000000002 110.596 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.533 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 11.1 m0 -78.86 146.58 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.924 -0.398 . . . . 0.88 109.924 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.725 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.0 p -88.02 163.37 16.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 1.0700000000000001 110.843 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 42' ' ' VAL . 6.4 mp -57.36 -41.53 80.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.26 110.999 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.92 -31.08 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.491 -0.777 . . . . 1.49 110.632 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.86 -36.3 56.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 2.2999999999999998 110.492 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.74 -43.83 65.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 1.6399999999999999 110.586 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.35 8.95 37.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.34999999999999998 112.808 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.42 128.92 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.042 -0.355 . . . . 1.1299999999999999 110.042 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.1 178.25 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.522 . . . . 2.7999999999999998 111.35 -175.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . . . -67.19 -31.58 72.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 1.1799999999999999 111.379 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.22 0.09 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 2.1400000000000001 111.173 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.7 122.02 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.401 -0.363 . . . . 1.1499999999999999 110.862 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.87 116.23 4.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.379 -0.373 . . . . 2.1400000000000001 110.104 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.541 HD22 HD21 ' A' ' 61' ' ' LEU . 12.1 tp -120.36 119.08 32.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 1.1000000000000001 110.364 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.35 138.13 45.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 1.1100000000000001 109.911 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 11.8 t80 -114.5 108.69 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.827 -0.805 . . . . 0.52000000000000002 108.827 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 t -142.51 150.85 55.9 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.873 -0.603 . . . . 1.1899999999999999 110.292 -173.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.52 147.0 81.24 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.422 2.081 . . . . 1.4099999999999999 112.113 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.942 -0.572 . . . . 2.1099999999999999 109.858 -178.199 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CH2' HD21 ' A' ' 77' ' ' LEU . 1.3 p-90 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.094 -0.336 . . . . 0.46000000000000002 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.2 109.77 21.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.587 0.708 . . . . 2.3999999999999999 111.081 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD11 HG21 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -100.64 113.72 26.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.217 -1.031 . . . . 1.3899999999999999 108.217 175.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.701 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 3.7 p -81.85 115.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.644 -0.873 . . . . 1.5700000000000001 108.644 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.752 HG21 HD11 ' A' ' 14' ' ' LEU . 41.4 t -107.07 116.87 51.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.68 -0.691 . . . . 1.04 109.282 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.522 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 80.3 mtp180 -85.24 111.66 20.04 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.473 -0.566 . . . . 3.46 109.473 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.702 HG12 ' HE1' ' A' ' 50' ' ' MET . 48.5 t -85.85 115.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.795 -0.639 . . . . 1.1200000000000001 110.263 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 15.9 t70 -95.93 104.75 16.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.135 -0.691 . . . . 0.89000000000000001 109.135 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 . . . . . 0 C--N 1.32 -0.683 0 N-CA-C 108.453 -0.943 . . . . 1.3500000000000001 108.453 178.284 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 69.9 mt-30 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.968 -0.382 . . . . 1.76 109.968 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -104.1 139.17 39.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.973 -0.558 . . . . 1.21 109.983 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 4.8 mp0 -96.66 103.09 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.3399999999999999 110.176 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' ' 49' ' ' GLN . 49.3 mm -106.18 104.92 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.598 -0.728 . . . . 1.21 109.978 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.3 m -87.56 103.69 15.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.014 0.435 . . . . 1.1699999999999999 110.122 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.0 mt -97.56 137.53 36.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.962 -0.563 . . . . 1.21 111.072 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 32' ' ' ARG . 42.9 ttm180 -92.58 108.27 19.85 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.271 -1.011 . . . . 4.2800000000000002 108.271 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.94 147.38 31.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.779 -0.646 . . . . 1.1100000000000001 111.85 -169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.9 m -90.16 159.83 16.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.506 -0.77 . . . . 1.96 110.538 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.06 -25.92 70.04 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.591 -0.814 . . . . 0.76000000000000001 111.527 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.5 -1.1 49.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.211 0.529 . . . . 2.21 110.666 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 77' ' ' LEU . 49.4 tp -79.65 132.18 36.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.691 -0.485 . . . . 1.0600000000000001 109.691 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -78.49 147.41 33.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.339 -0.392 . . . . 0.57999999999999996 110.698 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 70' ' ' LEU . 13.5 mm -51.92 -43.77 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 123.063 0.545 . . . . 1.1000000000000001 112.042 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA2' ' SD ' ' A' ' 43' ' ' MET . . . -57.98 -28.14 60.52 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 121.066 -0.587 . . . . 0.28999999999999998 112.768 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -42.33 58.61 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.143 -0.783 . . . . 0.37 111.143 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG21 HD13 ' A' ' 77' ' ' LEU . 57.8 t -62.83 -43.5 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.978 -0.378 . . . . 1.1000000000000001 109.978 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' HA2' ' A' ' 40' ' ' GLY . 76.2 mtp -52.94 -43.44 66.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.57 -0.741 . . . . 1.48 111.012 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.05 -36.16 66.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.039 -0.528 . . . . 1.6200000000000001 110.729 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 66.0 mttm -68.65 -21.39 64.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.588 0.588 . . . . 1.8700000000000001 112.588 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -61.62 -47.66 84.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.386 -0.526 . . . . 1.54 109.86 171.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.12 -33.89 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.3 110.013 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.698 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 31.0 tt0 -59.27 -50.11 75.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.92 -0.582 . . . . 2.3599999999999999 110.757 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' ' 29' ' ' ILE . 8.4 tp-100 -72.45 -52.86 14.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.714 -0.676 . . . . 1.9099999999999999 111.663 -176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.702 ' HE1' HG12 ' A' ' 18' ' ' VAL . 7.0 ttp . . . . . 0 C--N 1.33 -0.247 0 N-CA-C 109.612 -0.514 . . . . 1.3799999999999999 109.612 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 35.5 p90 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.181 -0.303 . . . . 4.6200000000000001 110.181 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HA ' ' HE3' ' A' ' 43' ' ' MET . . . -161.51 171.49 18.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.498 -0.319 . . . . 1.28 110.603 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.815 HD13 ' HG ' ' A' ' 88' ' ' LEU . 3.2 mm? -92.8 134.08 35.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.096 0.474 . . . . 1.8100000000000001 110.99 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -105.53 112.27 25.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.474 -0.785 . . . . 0.65000000000000002 109.608 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -91.82 109.04 20.36 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.671 -0.863 . . . . 0.34999999999999998 108.671 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.68 -32.91 73.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 2.3100000000000001 111.062 -173.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -72.98 -9.65 58.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.975 -0.557 . . . . 1.6899999999999999 111.623 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.81 -12.29 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.648 -0.251 . . . . 1.6000000000000001 111.363 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 56.83 38.39 29.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.07 0.462 . . . . 4.0099999999999998 110.476 -174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 t -132.3 148.76 52.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.93 -0.577 . . . . 2.3799999999999999 110.423 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.453 ' HH2' HG21 ' A' ' 91' ' ' THR . 91.4 m95 -96.01 130.19 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.66000000000000003 109.665 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.624 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.9 mm? -75.55 102.74 5.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.154 0.502 . . . . 1.3300000000000001 110.076 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.34 9.31 13.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.3200000000000001 109.119 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.718 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 3.1 mptp? -80.55 69.96 7.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.86 -1.064 . . . . 2.4700000000000002 109.045 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -68.34 -26.56 65.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.716 -0.675 . . . . 1.26 111.801 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -85.14 -28.65 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 3.7000000000000002 110.095 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.718 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 12.1 m95 -71.36 143.54 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.174 0.512 . . . . 0.88 110.855 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.767 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 22.2 p -87.85 162.21 17.09 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.581 -0.736 . . . . 1.0700000000000001 110.822 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD21 ' CH2' ' A' ' 12' ' ' TRP . 6.7 mp -56.41 -48.24 77.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 1.26 111.465 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.03 -31.57 71.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.507 . . . . 1.49 111.056 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 50.3 tttp -74.71 -38.81 62.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 2.2999999999999998 110.466 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.2 t -64.11 -43.45 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.6399999999999999 110.511 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.0 -9.5 18.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.638 -0.791 . . . . 0.34999999999999998 112.578 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.11 112.7 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.446 0.641 . . . . 1.1299999999999999 110.852 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -105.07 -173.61 2.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.568 -0.742 . . . . 2.7999999999999998 110.41 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -68.87 -14.51 63.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 1.1799999999999999 111.679 -175.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.33 11.12 24.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 2.1400000000000001 111.588 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.67 149.5 28.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.513 0.197 . . . . 1.1499999999999999 111.062 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -84.77 117.69 23.99 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.823 -0.436 . . . . 2.1400000000000001 109.823 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.815 ' HG ' HD13 ' A' ' 61' ' ' LEU . 13.2 tp -123.84 117.53 25.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 1.1000000000000001 110.544 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 17' ' ' ARG . 23.8 tp -104.6 134.92 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.723 -0.671 . . . . 1.1100000000000001 109.602 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.598 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 63.7 t80 -109.6 108.03 18.31 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.355 -0.538 . . . . 0.52000000000000002 110.019 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.601 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.4 t -144.13 151.66 52.58 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.501 -0.555 . . . . 1.1899999999999999 109.501 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.27 141.95 47.93 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.426 2.084 . . . . 1.4099999999999999 111.889 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 2.1099999999999999 110.104 -176.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.461 ' CH2' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.965 -0.383 . . . . 0.46000000000000002 109.965 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 17.5 mp0 -85.65 107.53 17.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.055 0.455 . . . . 2.3999999999999999 110.809 -177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 84' ' ' ALA . 60.4 tp -103.34 122.61 45.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.781 -0.645 . . . . 1.3899999999999999 110.233 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.4 p -93.44 119.41 41.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.356 0.598 . . . . 1.5700000000000001 110.106 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.509 ' HB ' HD13 ' A' ' 46' ' ' LEU . 42.5 t -114.72 125.38 72.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.762 -0.654 . . . . 1.04 109.955 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.557 ' O ' HD11 ' A' ' 89' ' ' LEU . 98.4 mtt180 -84.23 122.16 28.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.167 -0.469 . . . . 3.46 109.962 177.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.666 HG11 ' HE2' ' A' ' 50' ' ' MET . 46.3 t -92.58 123.86 44.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 116.341 -0.391 . . . . 1.1200000000000001 110.377 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.849 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.3 t70 -95.96 113.92 25.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.522 -0.548 . . . . 0.89000000000000001 109.522 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.561 -0.745 . . . . 1.3500000000000001 110.279 -174.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.702 -0.481 . . . . 1.76 109.702 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -78.12 136.49 37.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 1.21 110.672 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -98.84 105.95 18.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.774 0.797 . . . . 2.3399999999999999 110.272 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 HG23 ' HG ' ' A' ' 31' ' ' LEU . 45.3 mm -100.6 116.53 44.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.55 -0.75 . . . . 1.21 110.484 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 21.9 m -96.02 104.11 16.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.286 0.565 . . . . 1.1699999999999999 109.803 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 29' ' ' ILE . 95.7 mt -104.17 141.91 35.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.487 -0.779 . . . . 1.21 110.516 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -91.48 108.63 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.338 -0.986 . . . . 4.2800000000000002 108.338 173.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.0 148.52 30.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 1.1100000000000001 111.248 -172.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -89.71 148.38 23.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.876 -0.602 . . . . 1.96 110.035 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.36 -31.55 77.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.656 -0.783 . . . . 0.76000000000000001 111.788 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.21 2.4 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.507 . . . . 2.21 111.077 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.6 tp -78.79 131.63 36.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.684 -0.487 . . . . 1.0600000000000001 109.684 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.58 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.8 p-80 -78.15 147.31 34.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.57999999999999996 110.748 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 70' ' ' LEU . 17.5 mm -51.68 -42.44 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.942 -0.572 . . . . 1.1000000000000001 112.436 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.44 -24.87 56.99 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.176 -0.535 . . . . 0.28999999999999998 112.966 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 -37.02 20.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.928 -0.653 . . . . 0.37 111.601 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 77' ' ' LEU . 41.1 t -64.8 -43.41 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.81 -0.441 . . . . 1.1000000000000001 109.81 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.556 ' HE3' ' HA ' ' A' ' 60' ' ' ALA . 67.2 mtp -54.08 -38.93 65.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.445 -0.798 . . . . 1.48 111.166 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 60.2 tp -72.55 -39.62 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.043 -0.526 . . . . 1.6200000000000001 110.743 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 63.9 mttm -62.99 -27.67 69.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.15 -0.477 . . . . 1.8700000000000001 111.908 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD13 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -62.12 -46.9 86.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 1.54 110.998 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.18 -49.72 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.511 . . . . 1.3 111.299 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 45' ' ' LYS . 7.8 pt-20 -67.12 -26.05 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 2.3599999999999999 112.212 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.465 ' HG2' HG21 ' A' ' 29' ' ' ILE . 6.9 tp-100 -69.98 -32.61 70.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 1.9099999999999999 110.912 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.666 ' HE2' HG11 ' A' ' 18' ' ' VAL . 61.6 mtm . . . . . 0 C--N 1.326 -0.426 0 C-N-CA 120.969 -0.292 . . . . 1.3799999999999999 110.992 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 48.6 p90 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.233 -0.284 . . . . 4.6200000000000001 110.233 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.556 ' HA ' ' HE3' ' A' ' 43' ' ' MET . . . -152.99 169.2 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 1.28 110.64 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD23 HD22 ' A' ' 88' ' ' LEU . 15.4 tp -108.24 138.41 44.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.414 -0.357 . . . . 1.8100000000000001 110.099 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -123.05 126.14 46.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.879 -0.6 . . . . 0.65000000000000002 110.282 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.447 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.3 t90 -95.66 110.05 22.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.662 -0.866 . . . . 0.34999999999999998 108.662 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.14 -35.97 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 2.3100000000000001 111.17 -173.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.41 -26.68 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 1.6899999999999999 111.951 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.0 mmtt -115.09 -6.67 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.055 0.391 . . . . 1.6000000000000001 112.055 -174.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 60.6 42.41 14.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.227 0.329 . . . . 4.0099999999999998 111.068 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.3 p -130.5 148.89 52.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.935 0.398 . . . . 2.3799999999999999 111.742 -174.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -95.87 123.87 39.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.051 -1.092 . . . . 0.66000000000000003 108.051 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.7 mm? -73.02 103.35 3.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.762 -0.458 . . . . 1.3300000000000001 109.762 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -108.56 5.86 25.46 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.836 -0.801 . . . . 1.3200000000000001 108.836 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 37.4 mttm -83.21 57.76 4.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 2.4700000000000002 108.821 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -62.62 -30.17 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 1.26 112.318 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -85.74 -21.44 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 3.7000000000000002 110.413 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.408 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.2 m0 -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.038 -0.528 . . . . 0.88 110.342 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.6 p -96.26 168.9 10.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.876 -0.602 . . . . 1.0700000000000001 111.031 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 42' ' ' VAL . 5.2 mp -60.24 -43.77 95.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.878 -0.601 . . . . 1.26 111.579 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.0 -43.07 83.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 1.49 110.644 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 59.1 tptt -60.54 -38.15 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.228 -0.896 . . . . 2.2999999999999998 111.376 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -73.51 -37.94 65.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 1.6399999999999999 110.635 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.7 24.37 13.72 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.592 -0.813 . . . . 0.34999999999999998 112.633 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -101.28 118.81 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.086 0.469 . . . . 1.1299999999999999 110.394 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.03 -175.68 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 2.7999999999999998 111.435 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -79.88 -13.99 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 1.1799999999999999 112.183 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.77 -1.74 52.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.807 0.337 . . . . 2.1400000000000001 110.76 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.76 131.16 36.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.986 -0.552 . . . . 1.1499999999999999 110.586 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -71.82 97.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 2.1400000000000001 109.818 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.537 HD22 HD23 ' A' ' 61' ' ' LEU . 14.4 tp -100.98 135.99 41.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.352 -0.84 . . . . 1.1000000000000001 109.638 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.557 HD11 ' O ' ' A' ' 17' ' ' ARG . 29.3 tp -118.28 132.61 56.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.5 -0.318 . . . . 1.1100000000000001 110.332 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.2 t80 -111.77 111.36 22.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.779 -0.452 . . . . 0.52000000000000002 109.779 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.849 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.2 t -141.51 143.07 28.35 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.004 -0.544 . . . . 1.1899999999999999 110.004 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.602 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 22.4 Cg_exo -64.68 134.12 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.949 1.766 . . . . 1.4099999999999999 110.955 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.58 0.705 . . . . 2.1099999999999999 111.266 -176.009 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 14' ' ' LEU . 13.9 p-90 . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.246 -0.279 . . . . 0.46000000000000002 110.246 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.4 pt-20 -92.58 124.44 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.508 0.67 . . . . 2.3999999999999999 110.886 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 53.3 tp -111.43 130.2 55.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.969 -1.014 . . . . 1.3899999999999999 110.217 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.8 118.32 34.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.685 -0.487 . . . . 1.5700000000000001 109.685 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.39 121.48 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.719 -0.673 . . . . 1.04 109.817 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 89' ' ' LEU . 64.9 mtt180 -88.15 118.03 27.45 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 3.46 109.891 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 t -89.16 124.71 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.263 -0.426 . . . . 1.1200000000000001 110.317 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.5 113.93 25.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 0.89000000000000001 109.67 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.707 -0.679 . . . . 1.3500000000000001 110.84 -178.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.997 -0.742 . . . . 1.76 108.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 m -77.54 130.94 37.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.382 -0.372 . . . . 1.21 110.468 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -96.3 101.47 13.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.455 -0.572 . . . . 2.3399999999999999 109.455 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.0 mm -98.67 121.63 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 1.21 110.54 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -95.22 112.02 23.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.165 -0.471 . . . . 1.1699999999999999 109.891 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HG ' HG22 ' A' ' 29' ' ' ILE . 96.4 mt -116.46 129.42 56.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.221 -0.445 . . . . 1.21 110.284 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.7 ttm180 -92.78 110.1 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.313 -0.625 . . . . 4.2800000000000002 109.313 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -117.57 151.11 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.457 -0.792 . . . . 1.1100000000000001 111.147 -172.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -94.98 161.09 14.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 1.96 109.823 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.01 -19.12 67.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.872 -0.68 . . . . 0.76000000000000001 112.691 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.6 5.74 48.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.553 0.216 . . . . 2.21 111.499 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD21 ' A' ' 77' ' ' LEU . 47.3 tp -89.83 130.0 36.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.725 -0.472 . . . . 1.0600000000000001 109.725 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.764 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 50.6 p-80 -82.35 153.83 25.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.486 -0.324 . . . . 0.57999999999999996 111.036 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.748 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 18.6 mm -49.83 -47.95 22.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 123.664 0.786 . . . . 1.1000000000000001 112.189 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.86 -29.86 68.44 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.018 -0.611 . . . . 0.28999999999999998 112.592 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.23 -37.37 48.63 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.12 -0.792 . . . . 0.37 111.12 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 77' ' ' LEU . 39.0 t -63.33 -46.07 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 1.1000000000000001 109.348 174.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.519 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.2 mtp -58.14 -37.32 74.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.465 -0.788 . . . . 1.48 110.747 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.35 -29.67 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 1.6200000000000001 110.568 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.4 mttm -73.47 -22.08 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.8700000000000001 111.796 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mm? -63.09 -43.06 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.54 109.119 170.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.31 -37.17 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 1.3 109.932 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 32.4 tt0 -59.75 -34.35 72.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.054 -0.976 . . . . 2.3599999999999999 111.351 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.481 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.2 tp60 -72.14 -54.54 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 1.9099999999999999 111.932 -174.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 1.3799999999999999 111.929 -175.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.635 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 110.5 -0.185 . . . . 4.6200000000000001 110.5 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -172.0 165.22 6.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 1.28 110.615 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD11 HG23 ' A' ' 39' ' ' ILE . 87.6 mt -98.89 130.67 45.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.876 0.369 . . . . 1.8100000000000001 110.522 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 56.0 t-105 -106.41 113.59 27.19 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.775 -0.648 . . . . 0.65000000000000002 109.756 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -86.22 109.32 18.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.657 -0.868 . . . . 0.34999999999999998 108.657 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.39 -41.87 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.605 -0.271 . . . . 2.3100000000000001 111.466 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 97.1 mt-30 -55.33 -39.85 70.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 1.6899999999999999 111.528 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -98.5 -19.34 17.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.457 -0.338 . . . . 1.6000000000000001 111.211 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 57.41 79.82 0.18 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.329 -0.619 . . . . 4.0099999999999998 109.329 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 t -164.41 148.36 9.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.487 -0.779 . . . . 2.3799999999999999 110.158 -172.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.427 ' CZ3' HG23 ' A' ' 91' ' ' THR . 84.4 m95 -96.58 124.89 40.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.271 -0.64 . . . . 0.66000000000000003 109.271 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -69.01 104.61 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.122 0.487 . . . . 1.3300000000000001 110.102 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.45 -12.58 15.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 1.3200000000000001 109.89 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -79.91 60.85 3.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 2.4700000000000002 109.418 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.748 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 20.2 p -67.54 -24.2 65.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.215 -0.902 . . . . 1.26 111.81 -174.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -85.09 -9.48 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 3.7000000000000002 110.231 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.455 ' CE3' ' HG2' ' A' ' 79' ' ' LYS . 11.9 m0 -88.42 156.27 19.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.88 110.124 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.764 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.7 p -89.74 169.98 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.576 -0.284 . . . . 1.0700000000000001 110.891 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.43 -45.43 84.65 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.047 0.451 . . . . 1.26 110.07 176.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.8 -42.7 99.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.494 -0.776 . . . . 1.49 111.109 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 32.4 tttp -73.15 -22.51 60.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 2.2999999999999998 110.775 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.9 t -83.54 -45.85 13.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.314 -0.403 . . . . 1.6399999999999999 110.425 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.13 -3.34 23.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.672 -0.775 . . . . 0.34999999999999998 112.706 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -80.63 127.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 1.1299999999999999 110.952 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -116.26 -175.95 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 2.7999999999999998 110.875 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.08 -11.79 61.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.361 0.504 . . . . 1.1799999999999999 112.361 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -83.56 -18.2 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 2.1400000000000001 111.023 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -74.2 133.74 42.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.999 0.428 . . . . 1.1499999999999999 111.666 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -83.69 109.89 17.85 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.121 -0.696 . . . . 2.1400000000000001 109.121 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 61' ' ' LEU . 14.0 tp -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.095 0.474 . . . . 1.1000000000000001 110.676 -173.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 62' ' ' TRP . 22.2 tp -109.42 142.89 39.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.714 -0.675 . . . . 1.1100000000000001 109.497 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.635 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 14.0 t80 -114.96 110.74 20.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.52000000000000002 109.571 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.427 HG23 ' CZ3' ' A' ' 69' ' ' TRP . 1.8 t -141.26 150.95 60.14 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.096 -0.502 . . . . 1.1899999999999999 110.814 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.67 155.44 70.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.427 2.085 . . . . 1.4099999999999999 110.84 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.986 -0.286 . . . . 2.1099999999999999 111.266 -176.785 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.813 -0.515 . . . . 26.32 111.813 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 67.5 mt 63.91 101.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.252 0.549 . . . . 25.109999999999999 110.801 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -119.68 148.48 46.2 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 23.260000000000002 110.663 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.656 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 95.2 Cg_endo -88.79 25.34 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.031 2.487 . . . . 22.710000000000001 113.112 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -114.85 -25.73 8.09 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.728 0.269 . . . . 19.989999999999998 111.728 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 90.0 m -75.95 92.82 3.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.062 0.764 . . . . 18.510000000000002 113.062 -172.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt 55.2 32.76 19.14 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.236 0.828 . . . . 17.440000000000001 113.236 166.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt 59.61 -156.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.11 0.256 . . . . 15.1 111.295 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m 73.63 -43.01 0.54 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.55 0.74 . . . . 14.9 111.709 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 m -127.51 26.42 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.182 0.515 . . . . 12.44 110.061 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.656 ' HA2' ' HA ' ' A' ' -2' ' ' PRO . . . -116.0 -78.34 0.72 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.482 -0.866 . . . . 10.869999999999999 113.008 -175.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -89.91 136.22 33.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.909 0.385 . . . . 8.9800000000000004 111.457 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.16 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 9.4700000000000006 110.543 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t 175.98 14.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 6.1900000000000004 110.155 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -67.28 -25.55 66.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 4.8399999999999999 111.003 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.18 95.4 7.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.133 0.492 . . . . 2.5099999999999998 110.676 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 23.7 m -122.86 116.81 24.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.873 0.844 . . . . 1.54 110.055 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.615 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 11.3 p-90 -118.34 146.08 44.63 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.277 -1.329 . . . . 0.46000000000000002 110.008 -173.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 11.7 pt-20 -84.45 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.208 0.527 . . . . 2.3999999999999999 110.014 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 51.8 tp -112.92 125.76 54.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.747 -0.66 . . . . 1.3899999999999999 109.841 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.66 119.74 35.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.413 0.625 . . . . 1.5700000000000001 110.014 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.9 t -111.42 115.1 48.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.472 -0.785 . . . . 1.04 109.771 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 89' ' ' LEU . 20.4 ttp180 -86.8 111.72 21.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 3.46 109.577 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.536 HG22 ' SD ' ' A' ' 50' ' ' MET . 48.7 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.081 0.467 . . . . 1.1200000000000001 110.936 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.599 ' HB2' HD11 ' A' ' 89' ' ' LEU . 24.7 t70 -97.05 103.89 15.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.678 -0.692 . . . . 0.89000000000000001 109.205 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -71.67 130.57 41.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 1.3500000000000001 109.543 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -1.61 4.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.915 0.709 . . . . 2.0800000000000001 112.915 -170.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.63 -12.41 25.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 4.6900000000000004 110.598 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.29 30.23 67.42 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 111.146 -0.782 . . . . 3.21 111.146 -174.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.91 -36.95 24.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.078 0.466 . . . . 6.1399999999999997 111.801 -174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 178.75 151.52 0.3 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.345 -0.843 . . . . 4.4800000000000004 109.164 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -108.43 140.72 41.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.972 -0.381 . . . . 1.76 109.972 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.502 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 7.5 m -116.97 123.83 47.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 1.21 110.409 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.15 102.42 14.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.274 0.559 . . . . 2.3399999999999999 110.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -103.56 135.2 42.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 1.21 110.535 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -113.97 117.08 30.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 1.1699999999999999 110.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.2 134.92 54.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.95 -0.568 . . . . 1.21 109.782 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 48.2 ttp180 -93.61 110.72 22.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.444 0.64 . . . . 4.2800000000000002 109.564 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.459 HG22 ' CD2' ' A' ' 77' ' ' LEU . 16.6 m -110.87 154.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.348 -0.842 . . . . 1.1100000000000001 110.708 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 19.2 m -100.69 14.24 32.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.546 0.689 . . . . 1.96 111.57 -176.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 -41.73 2.2 Favored Glycine 0 C--N 1.308 -0.995 0 CA-C-N 115.04 -0.982 . . . . 0.76000000000000001 112.904 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.08 3.79 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 2.21 111.027 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 77' ' ' LEU . 43.1 tp -78.32 128.02 33.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 1.0600000000000001 109.586 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.889 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 18.9 p-80 -78.51 150.59 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.153 -0.219 . . . . 0.57999999999999996 110.783 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.715 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.3 mm -53.08 -42.28 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 123.143 0.577 . . . . 1.1000000000000001 112.52 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.56 64.84 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.083 -0.579 . . . . 0.28999999999999998 112.839 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -70.85 -39.79 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.764 -0.731 . . . . 0.37 111.471 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HD12 ' A' ' 77' ' ' LEU . 25.9 t -63.33 -43.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 1.1000000000000001 110.03 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.8 mtp -55.06 -42.36 72.62 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.623 -0.717 . . . . 1.48 111.404 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.1 tp -67.0 -42.15 85.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 1.6200000000000001 110.785 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 68.1 mttm -63.9 -35.87 82.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 1.8700000000000001 111.795 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -58.07 -50.22 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 1.54 110.426 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -57.39 -39.11 66.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.087 -0.506 . . . . 1.3 110.992 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.84 -34.79 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 2.3599999999999999 111.193 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' HG22 ' A' ' 29' ' ' ILE . 14.3 mm100 -65.7 -52.55 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 1.9099999999999999 111.886 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.536 ' SD ' HG22 ' A' ' 18' ' ' VAL . 3.7 mpp? -67.41 -48.2 68.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.61 -0.436 . . . . 1.3799999999999999 110.833 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 54.74 74.61 0.34 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.612 0.72 . . . . 2.3199999999999998 110.253 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.7 mt -127.42 135.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.601 -0.727 . . . . 2.04 110.254 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 72.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.119 0.485 . . . . 3.2400000000000002 111.614 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.56 156.93 46.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.011 -0.736 . . . . 4.1200000000000001 109.011 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -83.43 108.13 16.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.06 0.457 . . . . 2.9500000000000002 111.341 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -81.76 73.03 8.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.467 -0.938 . . . . 2.1800000000000002 108.467 174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -47.88 -44.29 29.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.944 -1.025 . . . . 2.7799999999999998 112.255 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -158.45 106.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.246 -0.65 . . . . 2.77 109.246 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 40.8 p90 -116.73 151.25 36.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 4.6200000000000001 111.232 -174.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.63 178.62 5.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.119 -0.491 . . . . 1.28 110.51 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.715 HD11 ' HG ' ' A' ' 88' ' ' LEU . 3.3 mm? -96.87 139.92 32.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.158 0.504 . . . . 1.8100000000000001 111.224 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -113.22 114.68 27.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.293 -0.867 . . . . 0.65000000000000002 109.235 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.462 ' HE1' ' HB3' ' A' ' 86' ' ' ALA . 4.0 t90 -83.06 110.05 17.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.34999999999999998 108.814 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.61 -43.15 81.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.835 0.35 . . . . 2.3100000000000001 111.829 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.12 -2.13 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.518 0.562 . . . . 1.6899999999999999 112.518 -172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.81 -11.83 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.741 0.305 . . . . 1.6000000000000001 110.551 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 51.71 74.16 0.27 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.485 -0.78 . . . . 4.0099999999999998 110.829 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 21.3 p -158.76 149.24 19.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.702 -0.681 . . . . 2.3799999999999999 110.682 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -96.12 125.95 41.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.66000000000000003 109.409 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -71.92 104.78 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 1.3300000000000001 109.79 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.31 1.63 10.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.405 -0.816 . . . . 1.3200000000000001 110.056 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -92.77 65.74 4.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.836 -0.802 . . . . 2.4700000000000002 108.836 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.715 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 52.6 p -66.78 -25.09 66.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.784 -1.098 . . . . 1.26 110.658 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -79.08 -4.46 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.892 -1.049 . . . . 3.7000000000000002 110.389 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -104.63 152.05 22.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.88 110.253 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.889 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 48.2 p -84.85 169.4 14.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.172 -0.467 . . . . 1.0700000000000001 110.86 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.508 HD12 HG23 ' A' ' 42' ' ' VAL . 5.9 mp -57.43 -47.17 82.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.98 -0.555 . . . . 1.26 110.621 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.89 -33.16 74.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.443 -0.799 . . . . 1.49 110.999 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -71.42 -40.77 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 2.2999999999999998 110.652 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.91 -36.98 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 1.6399999999999999 110.602 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.54 9.02 34.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.635 -0.793 . . . . 0.34999999999999998 112.474 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.66 117.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.21 0.528 . . . . 1.1299999999999999 110.63 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.615 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 51.8 mt-30 -131.15 -171.8 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.722 -0.672 . . . . 2.7999999999999998 110.462 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.53 -13.13 60.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.457 0.54 . . . . 1.1799999999999999 112.457 -172.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.96 -13.65 60.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.1400000000000001 110.951 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' HB3' ' HE1' ' A' ' 63' ' ' TRP . . . -111.93 149.9 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.474 . . . . 1.1499999999999999 110.876 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -90.02 139.24 30.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.446 -0.576 . . . . 2.1400000000000001 109.446 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.715 ' HG ' HD11 ' A' ' 61' ' ' LEU . 15.7 tp -125.43 126.42 44.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.099 0.475 . . . . 1.1000000000000001 110.518 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 19' ' ' ASP . 13.7 tp -103.44 131.38 50.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 1.1100000000000001 109.415 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 74.5 t80 -103.6 109.93 21.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.286 -0.635 . . . . 0.52000000000000002 109.286 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.3 t -141.88 138.75 17.34 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 116.27 -0.423 . . . . 1.1899999999999999 110.294 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.633 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 17.0 Cg_exo -67.09 133.52 31.15 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.164 1.91 . . . . 1.4099999999999999 111.284 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -77.87 1.16 21.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.293 0.568 . . . . 2.1099999999999999 109.85 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 4.0 t-80 65.47 25.51 11.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.773 -1.103 . . . . 5.5 111.867 166.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 94' ' ' HIS . 17.4 pttp 51.78 -170.21 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.13 0.894 . . . . 7.4199999999999999 112.0 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.624 -0.703 . . . . 8.6400000000000006 109.24 172.5 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.846 -0.501 . . . . 26.32 111.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 2.8 pp -102.2 176.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.781 -0.247 . . . . 25.109999999999999 110.632 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.6 167.89 5.01 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.513 -0.551 . . . . 23.260000000000002 109.513 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.22 7.15 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.152 2.568 . . . . 22.710000000000001 113.851 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 70.44 171.1 0.31 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.563 0.697 . . . . 19.989999999999998 111.834 176.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 5.7 p -98.36 20.38 12.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.143 -0.935 . . . . 18.510000000000002 110.765 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm -77.69 66.55 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.253 0.549 . . . . 17.440000000000001 110.866 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.3 tp -161.53 -43.28 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.162 -0.927 . . . . 15.1 108.778 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -81.94 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.41 -0.813 . . . . 14.9 110.625 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 m -150.12 34.97 0.66 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.944 -0.571 . . . . 12.44 109.773 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.69 -149.25 29.86 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.551 -0.749 . . . . 10.869999999999999 111.297 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -102.95 93.05 4.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.66 -0.496 . . . . 8.9800000000000004 109.66 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -116.77 -28.68 6.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.743 -0.662 . . . . 9.4700000000000006 110.736 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -142.08 146.4 35.39 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.164 0.507 . . . . 6.1900000000000004 110.883 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 7.0 t -90.9 -33.24 15.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.988 -0.745 . . . . 4.8399999999999999 108.988 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.581 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . 67.42 121.56 0.03 OUTLIER 'General case' 0 C--N 1.338 0.101 0 CA-C-N 114.796 -1.093 . . . . 2.5099999999999998 112.163 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 30.2 m -94.68 93.54 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.586 0.708 . . . . 1.54 109.848 175.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.454 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 7.3 p-90 -93.49 146.51 23.72 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.981 -1.009 . . . . 0.46000000000000002 110.221 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.67 117.49 22.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.644 0.735 . . . . 2.3999999999999999 111.334 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 68.0 tp -114.44 134.3 55.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.885 -1.052 . . . . 1.3899999999999999 109.69 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.09 119.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.392 0.615 . . . . 1.5700000000000001 109.962 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -109.29 109.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.684 -0.689 . . . . 1.04 109.503 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.991 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 57.6 mtt180 -84.93 110.39 18.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 3.46 109.713 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 56.3 t -85.34 115.19 26.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.133 -0.485 . . . . 1.1200000000000001 110.614 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.857 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.8 t70 -96.24 133.06 41.04 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.524 -0.762 . . . . 0.89000000000000001 108.985 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -112.05 143.71 42.6 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.19 -0.459 . . . . 1.3500000000000001 110.718 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.72 -46.67 62.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.596 -0.52 . . . . 2.0800000000000001 109.596 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -143.82 123.24 13.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.906 -0.588 . . . . 4.6900000000000004 110.448 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.16 143.09 11.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.06 -0.59 . . . . 3.21 113.001 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.691 ' HG3' HD13 ' A' ' 52' ' ' ILE . 7.9 mm-40 61.75 174.41 0.12 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.205 0.817 . . . . 6.1399999999999997 113.205 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.66 -174.66 3.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.092 -0.958 . . . . 4.4800000000000004 108.824 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.1 mt-30 -72.86 95.8 2.0 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.141 -0.688 . . . . 1.76 109.141 170.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -77.32 108.12 10.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 1.21 110.47 -172.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.991 ' HB3' ' HG2' ' A' ' 17' ' ' ARG . 7.8 pt-20 -99.22 106.99 19.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 2.3399999999999999 110.724 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 49' ' ' GLN . 47.0 mm -100.93 132.58 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.964 -1.017 . . . . 1.21 110.019 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -98.46 102.14 13.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.473 -0.566 . . . . 1.1699999999999999 109.473 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.69 139.36 41.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 1.21 109.767 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -93.54 109.38 20.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.64 0.733 . . . . 4.2800000000000002 109.619 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 11' ' ' SER . 26.9 m -115.55 150.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.684 -1.144 . . . . 1.1100000000000001 110.654 -173.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.581 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 58.6 p -91.38 157.4 17.12 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.126 -0.488 . . . . 1.96 110.033 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -64.63 -19.36 64.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 0.76000000000000001 112.348 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.36 13.53 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 2.21 111.331 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.9 tp -94.19 124.88 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.926 -0.398 . . . . 1.0600000000000001 109.926 176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.681 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 40.4 p-80 -80.61 151.3 29.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.57999999999999996 111.118 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.693 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.1 mm -50.32 -46.28 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.54 0.736 . . . . 1.1000000000000001 112.708 -175.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.61 75.48 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.805 -0.712 . . . . 0.28999999999999998 112.303 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.82 -34.11 56.71 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.257 -0.737 . . . . 0.37 111.257 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -64.61 -44.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.355 -0.609 . . . . 1.1000000000000001 109.355 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.402 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 73.0 mtp -54.15 -44.47 71.44 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.34 -0.845 . . . . 1.48 111.182 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.77 -41.81 87.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.62 -0.718 . . . . 1.6200000000000001 110.444 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.41 -31.11 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.8700000000000001 111.537 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.27 -52.79 62.3 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.858 0.361 . . . . 1.54 110.16 174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG22 ' CD2' ' A' ' 56' ' ' TRP . 97.8 t -55.36 -46.2 78.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.163 0.506 . . . . 1.3 110.397 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.3 -30.65 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.993 -1.003 . . . . 2.3599999999999999 111.401 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' A' ' 29' ' ' ILE . 7.4 tp60 -73.92 -55.11 6.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.305 -0.407 . . . . 1.9099999999999999 111.787 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.519 ' HB3' HG13 ' A' ' 52' ' ' ILE . 3.3 mpp? -87.42 -47.21 8.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.44 0.533 . . . . 1.3799999999999999 112.44 -172.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 55.31 71.67 0.53 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.265 0.555 . . . . 2.3199999999999998 110.302 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.691 HD13 ' HG3' ' A' ' 24' ' ' GLU . 73.8 mt -113.46 142.18 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.991 -0.549 . . . . 2.04 110.899 -173.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.02 92.93 0.18 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.865 -0.607 . . . . 3.2400000000000002 112.324 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.909 HE22 ' HH ' ' A' ' 59' ' ' TYR . 26.9 pt20 -165.15 177.68 7.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.405 -0.961 . . . . 4.1200000000000001 108.405 171.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.0 124.4 37.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.398 0.618 . . . . 2.9500000000000002 109.963 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD2' HG22 ' A' ' 47' ' ' VAL . 90.6 m95 -95.78 9.14 41.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.819 -0.628 . . . . 2.1800000000000002 110.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -64.88 -51.87 59.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.727 -0.67 . . . . 2.7799999999999998 110.52 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.625 ' HB3' ' HG2' ' A' ' 95' ' ' LYS . 12.5 t70 -99.67 98.9 9.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.093 -0.706 . . . . 2.77 109.093 175.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.909 ' HH ' HE22 ' A' ' 54' ' ' GLN . 0.2 OUTLIER -161.15 145.12 13.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.719 -0.673 . . . . 4.6200000000000001 110.119 -175.12 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.01 167.57 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.322 -0.399 . . . . 1.28 110.034 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.643 HD13 ' HG ' ' A' ' 88' ' ' LEU . 1.5 mm? -80.99 129.16 34.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.06 0.457 . . . . 1.8100000000000001 110.336 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -103.66 115.11 29.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.085 -0.709 . . . . 0.65000000000000002 109.085 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.418 ' HB2' HD22 ' A' ' 70' ' ' LEU . 3.7 t90 -81.43 109.17 15.66 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.549 -1.278 . . . . 0.34999999999999998 107.549 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.52 -52.16 29.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.39 -0.823 . . . . 2.3100000000000001 111.203 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.51 -32.13 72.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 1.6899999999999999 111.975 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -90.54 -15.94 29.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.169 -0.212 . . . . 1.6000000000000001 111.248 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 67' ' ' ARG . 13.5 mmt180 59.01 62.1 1.96 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.211 0.529 . . . . 4.0099999999999998 110.626 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.45 148.04 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 2.3799999999999999 110.903 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 93.2 m95 -96.32 128.81 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.975 -0.379 . . . . 0.66000000000000003 109.975 177.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 HD22 ' HB2' ' A' ' 63' ' ' TRP . 3.6 mm? -83.6 103.16 12.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.429 -0.582 . . . . 1.3300000000000001 109.429 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.3 mt -110.27 -5.75 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.096 -0.705 . . . . 1.3200000000000001 109.096 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.95 66.44 4.4 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.973 -1.012 . . . . 2.4700000000000002 109.046 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.693 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 19.6 p -67.03 -15.34 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 1.26 111.243 -175.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.94 -6.05 49.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.595 -0.729 . . . . 3.7000000000000002 110.42 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 9.1 m0 -90.9 145.53 24.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.644 . . . . 0.88 110.058 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.681 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.3 p -88.49 166.19 14.36 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.932 -0.576 . . . . 1.0700000000000001 110.669 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -45.11 77.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.874 0.369 . . . . 1.26 110.512 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -43.28 93.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.55 -0.75 . . . . 1.49 110.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.575 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.6 tptt -72.43 -32.86 66.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 2.2999999999999998 111.268 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.92 -30.84 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.335 . . . . 1.6399999999999999 110.907 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.31 7.48 58.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.34999999999999998 112.425 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -86.26 119.88 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.547 . . . . 1.1299999999999999 110.58 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.36 -170.28 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.327 -0.851 . . . . 2.7999999999999998 110.86 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.37 -27.91 34.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.1799999999999999 111.419 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.98 1.22 54.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 2.1400000000000001 110.786 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.61 123.17 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 1.1499999999999999 110.0 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -69.03 115.2 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.86 0.362 . . . . 2.1400000000000001 110.324 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 61' ' ' LEU . 20.5 tp -117.87 127.36 53.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.065 -0.516 . . . . 1.1000000000000001 110.337 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.78 144.72 34.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 1.1100000000000001 109.367 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.402 ' HB3' HG21 ' A' ' 18' ' ' VAL . 8.8 t80 -120.05 106.36 11.92 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.52000000000000002 109.128 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.857 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 13.0 t -143.89 152.28 55.02 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.862 -0.421 . . . . 1.1899999999999999 109.862 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.667 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 10.1 Cg_endo -54.56 137.27 72.87 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.477 2.118 . . . . 1.4099999999999999 111.244 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.54 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 23.5 pt20 -85.25 -38.73 18.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.801 -0.36 . . . . 2.1099999999999999 111.595 -172.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -130.92 7.58 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.975 -0.29 . . . . 5.5 111.562 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.902 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 4.4 mmpt? -80.17 96.95 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 7.4199999999999999 111.453 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.351 -0.981 . . . . 8.6400000000000006 108.351 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.675 -0.57 . . . . 26.32 111.675 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.706 HG22 ' HA ' ' A' ' 0' ' ' THR . 3.9 mp -99.89 92.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.221 0.534 . . . . 25.109999999999999 110.463 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.858 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 22.2 t70 -142.4 -59.14 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.639 . . . . 23.260000000000002 109.902 173.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' -3' ' ' ASP . 2.8 Cg_exo -77.58 -47.12 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.961 1.774 . . . . 22.710000000000001 110.974 170.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -101.57 87.49 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.938 -0.574 . . . . 19.989999999999998 111.099 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.706 ' HA ' HG22 ' A' ' -4' ' ' ILE . 9.2 t -89.26 -20.13 24.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.513 -1.292 . . . . 18.510000000000002 107.513 168.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.647 ' HG2' ' H ' ' A' ' 2' ' ' LEU . 33.9 ttp -147.85 -169.91 3.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.863 -1.532 . . . . 17.440000000000001 106.863 174.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.647 ' H ' ' HG2' ' A' ' 1' ' ' MET . 99.2 mt -73.94 79.84 1.66 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.393 0.542 . . . . 15.1 111.087 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -129.05 99.33 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 14.9 110.559 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -94.04 -6.8 44.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 12.44 111.822 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.17 -78.95 1.91 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.62 -0.8 . . . . 10.869999999999999 111.226 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -93.88 118.66 31.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.994 -0.372 . . . . 8.9800000000000004 109.994 172.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.51 11.99 38.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.424 . . . . 9.4700000000000006 110.296 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.443 ' HB ' ' HG ' ' A' ' 11' ' ' SER . 5.8 m -77.62 -55.56 5.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.1 -0.5 . . . . 6.1900000000000004 109.726 177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -174.86 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.566 -0.743 . . . . 4.8399999999999999 109.849 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.26 33.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 2.5099999999999998 109.728 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.443 ' HG ' ' HB ' ' A' ' 8' ' ' THR . 5.7 m -70.38 114.76 8.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.576 -0.738 . . . . 1.54 110.257 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.63 ' CH2' HD22 ' A' ' 77' ' ' LEU . 4.4 p-90 -92.85 146.2 23.82 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.15 -0.932 . . . . 0.46000000000000002 110.235 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.1 112.91 18.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.617 0.723 . . . . 2.3999999999999999 110.701 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.5 tp -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.24 -0.891 . . . . 1.3899999999999999 110.018 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 6.2 p -90.09 120.19 38.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.407 0.622 . . . . 1.5700000000000001 109.737 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.515 ' HB ' HD13 ' A' ' 46' ' ' LEU . 41.4 t -119.4 131.28 72.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.743 -0.662 . . . . 1.04 109.413 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 79.5 mtp180 -96.22 116.8 29.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.017 0.436 . . . . 3.46 109.909 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 47.4 t -87.34 115.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.837 -0.62 . . . . 1.1200000000000001 110.637 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.809 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.2 t70 -96.8 106.94 19.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.276 -0.638 . . . . 0.89000000000000001 109.276 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -75.78 144.96 41.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 1.3500000000000001 111.034 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.84 171.3 7.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.619 -0.719 . . . . 2.0800000000000001 109.551 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 67.14 17.0 10.34 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.828 0.823 . . . . 4.6900000000000004 109.625 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.17 -179.98 41.0 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.547 -1.021 . . . . 3.21 110.547 -177.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.18 119.9 39.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.316 0.558 . . . . 6.1399999999999997 110.362 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -173.53 117.35 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 4.4800000000000004 110.269 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 45.3 mt-30 -110.82 124.1 51.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.843 0.354 . . . . 1.76 110.429 174.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 9.1 m -107.59 137.53 45.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.862 -0.608 . . . . 1.21 110.392 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.4 mp0 -98.41 112.14 24.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.873 0.368 . . . . 2.3399999999999999 110.293 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.44 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.9 mm -111.31 140.15 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 1.21 110.089 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.8 m -121.11 108.48 13.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 1.1699999999999999 110.714 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -109.16 133.84 52.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.953 -0.567 . . . . 1.21 110.401 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -91.07 108.2 19.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 4.2800000000000002 109.076 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 162.59 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.366 -0.833 . . . . 1.1100000000000001 111.075 -172.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -122.92 170.0 10.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.093 -0.706 . . . . 1.96 109.093 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.48 -14.61 62.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.079 -0.581 . . . . 0.76000000000000001 113.429 -173.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.94 -15.37 59.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 2.21 111.145 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' O ' HD12 ' A' ' 77' ' ' LEU . 40.2 tp -79.8 140.88 36.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.965 -0.383 . . . . 1.0600000000000001 109.965 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.705 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.9 p-80 -90.33 152.02 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.417 -0.356 . . . . 0.57999999999999996 110.776 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 61' ' ' LEU . 22.6 mm -51.96 -45.04 39.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.717 0.636 . . . . 1.1000000000000001 112.717 -175.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.67 -33.25 66.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.917 -0.659 . . . . 0.28999999999999998 112.857 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.59 72.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.939 -0.648 . . . . 0.37 111.572 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 77' ' ' LEU . 41.9 t -64.54 -44.78 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.91 -0.404 . . . . 1.1000000000000001 109.91 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.57 ' HE1' ' HA ' ' A' ' 60' ' ' ALA . 71.0 mtp -55.43 -37.84 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.578 -0.737 . . . . 1.48 111.371 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -40.13 71.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 1.6200000000000001 110.708 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.02 -30.4 71.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.8700000000000001 111.558 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD13 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -57.8 -53.16 61.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.646 0.26 . . . . 1.54 110.32 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -59.24 -40.89 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 1.3 110.774 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.03 -42.29 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 2.3599999999999999 110.978 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 15.0 mm100 -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.9099999999999999 112.224 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -75.86 -35.16 60.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.587 -0.445 . . . . 1.3799999999999999 110.768 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.1 t30 60.4 75.22 0.42 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.536 0.684 . . . . 2.3199999999999998 110.385 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.6 mt -134.09 98.23 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.831 . . . . 2.04 109.557 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.95 89.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 3.2400000000000002 110.893 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -148.68 -172.51 4.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.701 -0.682 . . . . 4.1200000000000001 109.574 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.86 117.23 14.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.015 0.436 . . . . 2.9500000000000002 111.012 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -119.54 33.96 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.873 -0.603 . . . . 2.1800000000000002 109.441 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 m -63.31 -33.4 75.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 2.7799999999999998 111.379 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.43 102.19 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.8 -0.445 . . . . 2.77 109.8 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.598 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.5 p90 -158.64 150.52 21.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 4.6200000000000001 110.313 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -170.59 169.38 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.365 0.416 . . . . 1.28 110.757 177.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 39' ' ' ILE . 75.7 mt -93.34 127.53 38.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.238 -0.437 . . . . 1.8100000000000001 110.314 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -104.66 114.98 29.55 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.883 -0.598 . . . . 0.65000000000000002 109.619 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -86.81 110.34 19.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.967 -0.753 . . . . 0.34999999999999998 108.967 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.41 -34.23 76.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.762 0.315 . . . . 2.3100000000000001 111.804 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -71.1 -32.64 69.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 1.6899999999999999 111.703 -175.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -106.52 -20.41 13.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.642 -0.253 . . . . 1.6000000000000001 111.048 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 57.89 82.87 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.607 0.718 . . . . 4.0099999999999998 110.718 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -167.39 148.6 5.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.832 -1.077 . . . . 2.3799999999999999 109.813 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.62 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 97.3 m95 -96.76 122.62 39.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.66000000000000003 109.847 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -76.12 103.66 6.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 1.3300000000000001 109.577 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.04 -5.56 10.51 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.533 -0.758 . . . . 1.3200000000000001 109.277 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.82 70.42 5.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 2.4700000000000002 108.948 171.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.4 p -68.99 -19.08 64.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 1.26 111.651 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.72 -12.05 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 3.7000000000000002 110.661 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -80.48 142.25 34.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.88 110.558 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 45.7 p -82.88 164.82 20.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.054 -0.521 . . . . 1.0700000000000001 110.523 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.63 HD22 ' CH2' ' A' ' 12' ' ' TRP . 5.5 mp -59.1 -41.16 87.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.013 0.435 . . . . 1.26 110.624 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.8 -32.99 71.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.49 110.458 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.06 -43.67 78.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 2.2999999999999998 110.426 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.7 m -72.18 -42.56 65.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 1.6399999999999999 110.975 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.76 18.45 15.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.672 -0.775 . . . . 0.34999999999999998 112.381 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.2 115.66 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.125 0.488 . . . . 1.1299999999999999 110.383 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.555 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.5 mt-30 -121.07 -164.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.668 . . . . 2.7999999999999998 110.843 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.9 -21.06 66.42 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.569 0.581 . . . . 1.1799999999999999 112.569 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -95.5 10.95 34.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.871 0.367 . . . . 2.1400000000000001 111.349 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.33 127.29 42.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.478 -0.328 . . . . 1.1499999999999999 110.931 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -72.33 108.9 5.7 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.457 -0.571 . . . . 2.1400000000000001 109.457 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD22 HD13 ' A' ' 61' ' ' LEU . 20.3 tp -122.72 126.42 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 1.1000000000000001 110.861 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 19' ' ' ASP . 22.0 tp -112.4 125.53 54.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.778 -0.646 . . . . 1.1100000000000001 109.518 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.598 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 55.0 t80 -103.38 108.88 20.3 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.52000000000000002 109.861 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.809 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.7 t -144.09 151.26 51.68 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.915 -0.584 . . . . 1.1899999999999999 110.232 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 72.7 Cg_exo -51.16 124.71 14.57 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.123 1.882 . . . . 1.4099999999999999 110.448 169.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.62 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 2.9 pt20 -57.26 -38.87 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 2.1099999999999999 111.69 -173.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.419 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 14.8 t-80 53.97 41.95 31.84 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.001 0.429 . . . . 5.5 110.511 173.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 94' ' ' HIS . 24.9 ttpp 71.19 139.83 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.394 -0.821 . . . . 7.4199999999999999 111.291 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.406 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 64.4 mtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.585 -0.721 . . . . 8.6400000000000006 110.527 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.81 -0.516 . . . . 26.32 111.81 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.94 105.42 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.647 -0.501 . . . . 25.109999999999999 109.647 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -93.18 126.26 51.53 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.865 -0.607 . . . . 23.260000000000002 111.404 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.48 -15.7 12.31 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.872 2.381 . . . . 22.710000000000001 113.277 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.445 ' C ' ' HG1' ' A' ' 0' ' ' THR . 76.3 t80 -71.03 -36.96 72.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.991 -0.374 . . . . 19.989999999999998 109.991 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.445 ' HG1' ' C ' ' A' ' -1' ' ' PHE . 76.8 p 53.99 -161.34 0.13 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.407 -0.815 . . . . 18.510000000000002 112.273 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt -78.34 78.95 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.293 0.568 . . . . 17.440000000000001 110.566 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 tp -116.53 -28.99 6.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 15.1 110.121 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -142.0 89.03 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 14.9 110.212 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 t -87.68 -28.81 21.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.887 -0.597 . . . . 12.44 109.989 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.84 123.61 1.43 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.806 -0.712 . . . . 10.869999999999999 112.052 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -106.6 -58.88 1.87 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 8.9800000000000004 109.683 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD22 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -104.03 -31.88 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.599 -0.519 . . . . 9.4700000000000006 109.599 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.2 m -119.51 99.78 6.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.83 -0.623 . . . . 6.1900000000000004 110.205 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 m -104.59 40.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.796 -0.638 . . . . 4.8399999999999999 110.156 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . -79.44 42.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 2.5099999999999998 111.566 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 44.7 m -107.79 110.64 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.043 -0.725 . . . . 1.54 109.043 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.478 ' CH2' HD21 ' A' ' 77' ' ' LEU . 1.1 p-90 -122.32 168.16 12.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.964 -0.562 . . . . 0.46000000000000002 111.499 -172.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -86.45 104.71 16.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.281 0.562 . . . . 2.3999999999999999 111.027 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 tp -99.62 109.43 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.398 -0.819 . . . . 1.3899999999999999 109.64 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.18 120.28 35.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.327 0.584 . . . . 1.5700000000000001 110.117 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG21 HD21 ' A' ' 88' ' ' LEU . 41.0 t -111.59 121.88 64.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.756 -0.656 . . . . 1.04 109.939 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.859 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 87.0 mtt180 -81.98 112.17 18.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 3.46 109.945 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 38.7 t -89.89 116.86 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.224 -0.444 . . . . 1.1200000000000001 110.492 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.487 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 17.8 t70 -111.78 137.44 49.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.744 -0.662 . . . . 0.89000000000000001 109.744 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.936 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 49.2 m-70 -118.61 150.04 40.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.119 -0.697 . . . . 1.3500000000000001 109.119 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.05 20.55 17.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.697 0.284 . . . . 2.0800000000000001 111.342 -174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -152.86 97.0 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.91 0.386 . . . . 4.6900000000000004 111.741 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.86 33.37 83.02 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.571 -0.741 . . . . 3.21 114.295 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.936 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 4.2 mm-40 -141.35 150.5 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.218 0.509 . . . . 6.1399999999999997 111.349 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -103.51 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.65 . . . . 4.4800000000000004 109.529 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 73.9 mt-30 -74.84 131.54 40.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.205 0.526 . . . . 1.76 111.798 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -116.89 132.72 56.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.394 -0.821 . . . . 1.21 109.399 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.859 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 48.6 mt-10 -97.49 112.9 24.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.003 0.43 . . . . 2.3399999999999999 110.684 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.606 HG23 ' HG3' ' A' ' 49' ' ' GLN . 38.1 mm -102.19 123.89 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.711 -0.677 . . . . 1.21 110.193 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -96.82 114.09 25.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.051 0.453 . . . . 1.1699999999999999 110.148 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.15 140.13 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 1.21 110.628 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -93.23 108.68 20.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.16 -1.052 . . . . 4.2800000000000002 108.16 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 11' ' ' SER . 17.7 m -128.62 150.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.113 0.483 . . . . 1.1100000000000001 111.559 -172.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 15.7 p -98.07 154.48 17.69 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.511 -0.768 . . . . 1.96 109.928 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.84 70.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.767 . . . . 0.76000000000000001 112.346 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.16 -4.8 46.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.975 0.417 . . . . 2.21 111.166 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' HD11 ' A' ' 77' ' ' LEU . 51.3 tp -79.61 131.99 36.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.779 -0.452 . . . . 1.0600000000000001 109.779 176.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.782 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -82.29 150.11 27.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.228 -0.442 . . . . 0.57999999999999996 110.438 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.2 mm -51.13 -46.71 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 113.078 0.77 . . . . 1.1000000000000001 113.078 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.97 -28.64 63.9 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.736 -0.745 . . . . 0.28999999999999998 112.426 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.13 -22.17 71.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.042 -0.599 . . . . 0.37 111.617 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG22 HD12 ' A' ' 77' ' ' LEU . 46.4 t -77.85 -49.68 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.273 -0.64 . . . . 1.1000000000000001 109.273 175.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 mtp -56.67 -38.36 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.411 -0.813 . . . . 1.48 111.098 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 tp -61.15 -38.43 86.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 1.6200000000000001 110.674 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 62.4 mttp -67.56 -33.26 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 1.8700000000000001 111.224 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 46' ' ' LEU . 3.5 mm? -57.77 -49.84 75.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.708 0.289 . . . . 1.54 110.819 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.43 -36.7 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 1.3 110.24 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.9 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 2.3599999999999999 111.711 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 27.9 mm-40 -62.07 -53.15 59.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.726 0.298 . . . . 1.9099999999999999 111.788 -175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -80.35 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.645 -0.252 . . . . 1.3799999999999999 110.993 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.8 m120 60.12 29.96 19.47 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.151 0.5 . . . . 2.3199999999999998 110.889 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.98 126.33 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.664 -0.698 . . . . 2.04 110.542 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.7 118.26 3.52 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.597 -0.52 . . . . 3.2400000000000002 109.597 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HA ' ' CD1' ' A' ' 56' ' ' TRP . 24.9 mt-30 -59.97 120.08 8.98 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 122.049 0.928 . . . . 4.1200000000000001 112.626 -171.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 36.33 0.82 Allowed 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 106.111 -1.811 . . . . 2.9500000000000002 106.111 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.495 ' CD1' ' HA ' ' A' ' 54' ' ' GLN . 58.2 m95 -84.82 69.89 10.78 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.618 -1.628 . . . . 2.1800000000000002 110.209 -171.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 m -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.791 . . . . 2.7799999999999998 109.84 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 94' ' ' HIS . 73.1 m-20 -125.07 113.08 17.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.393 -0.821 . . . . 2.77 109.734 175.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -158.74 142.07 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.941 -0.303 . . . . 4.6200000000000001 110.421 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 93' ' ' GLN . . . -170.63 167.0 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.887 -0.597 . . . . 1.28 109.899 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD21 HD22 ' A' ' 88' ' ' LEU . 15.4 tp -98.88 134.21 42.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.694 -0.484 . . . . 1.8100000000000001 109.694 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -117.29 121.07 40.14 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.053 -0.521 . . . . 0.65000000000000002 110.593 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.534 ' HB2' HD22 ' A' ' 70' ' ' LEU . 4.0 t90 -90.4 110.66 21.75 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.473 -0.936 . . . . 0.34999999999999998 108.473 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.17 -46.91 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.252 -0.431 . . . . 2.3100000000000001 110.854 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.45 -55.03 27.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 1.6899999999999999 111.89 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.7 -11.09 59.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 1.6000000000000001 111.667 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 53.3 76.78 0.19 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.763 0.664 . . . . 4.0099999999999998 111.295 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.64 148.33 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 2.3799999999999999 110.371 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -95.79 122.08 38.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.188 -1.041 . . . . 0.66000000000000003 108.188 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -73.19 102.96 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.227 0.537 . . . . 1.3300000000000001 110.009 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.11 10.42 15.0 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.76 -0.83 . . . . 1.3200000000000001 108.76 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.27 63.81 8.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.852 -1.067 . . . . 2.4700000000000002 108.624 175.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 p -69.23 -19.08 63.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.645 -0.707 . . . . 1.26 111.276 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -88.66 -10.52 48.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 3.7000000000000002 110.062 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 31.7 m0 -93.83 147.74 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.068 -0.515 . . . . 0.88 110.571 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.782 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -91.64 169.6 10.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.694 -0.685 . . . . 1.0700000000000001 110.962 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.54 HD12 HG22 ' A' ' 42' ' ' VAL . 6.1 mp -60.07 -37.78 80.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 1.26 111.263 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.55 -43.0 91.21 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.834 0.349 . . . . 1.49 110.897 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.16 -42.84 93.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 2.2999999999999998 111.244 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -69.84 -36.36 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.02 0.438 . . . . 1.6399999999999999 110.807 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.73 11.01 58.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.34999999999999998 112.69 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.86 125.13 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.85 0.357 . . . . 1.1299999999999999 110.049 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -120.23 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 2.7999999999999998 110.889 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.04 -16.11 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.542 0.571 . . . . 1.1799999999999999 112.542 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -95.5 4.55 53.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 2.1400000000000001 110.801 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.91 129.84 34.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.364 -0.38 . . . . 1.1499999999999999 111.351 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -74.56 108.34 7.25 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.095 -0.706 . . . . 2.1400000000000001 109.095 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.554 HD22 HD21 ' A' ' 61' ' ' LEU . 16.5 tp -119.35 130.22 55.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.849 -0.614 . . . . 1.1000000000000001 110.752 -171.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 17' ' ' ARG . 31.2 tp -118.7 136.9 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.839 -0.619 . . . . 1.1100000000000001 110.257 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -116.34 109.24 17.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.066 -0.716 . . . . 0.52000000000000002 109.066 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.487 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 12.1 t -142.68 151.97 58.39 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 1.1899999999999999 110.42 -174.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.01 116.22 1.85 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.913 2.408 . . . . 1.4099999999999999 112.371 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.493 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.1 pt20 -64.44 -41.03 96.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 2.1099999999999999 110.946 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.45 ' HA ' ' OD1' ' A' ' 58' ' ' ASP . 50.6 t60 49.04 78.48 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.587 -0.733 . . . . 5.5 110.824 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HD3' ' HG3' ' A' ' 96' ' ' MET . 1.6 tmtp? -73.59 118.27 16.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.5 -0.773 . . . . 7.4199999999999999 109.354 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.584 ' HG3' ' HD3' ' A' ' 95' ' ' LYS . 80.3 mtp . . . . . 0 C--O 1.25 1.115 0 O-C-N 123.833 0.708 . . . . 8.6400000000000006 110.532 -173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 112.167 -0.373 . . . . 26.32 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -127.76 165.09 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 122.795 -0.238 . . . . 25.109999999999999 110.871 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.07 134.39 39.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.885 -0.413 . . . . 23.260000000000002 109.885 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -86.85 33.13 0.43 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.244 2.629 . . . . 22.710000000000001 114.044 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -144.89 120.7 10.57 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.12 -0.326 . . . . 19.989999999999998 110.12 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.442 HG21 ' HG3' ' A' ' 1' ' ' MET . 20.6 m -74.85 -84.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 18.510000000000002 110.753 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' HG3' HG21 ' A' ' 0' ' ' THR . 66.2 mtt -145.84 165.23 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.761 -0.459 . . . . 17.440000000000001 109.761 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.25 143.37 48.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.76 -0.459 . . . . 15.1 109.76 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m 68.95 105.95 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.739 0.649 . . . . 14.9 110.464 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.8 m -88.91 5.78 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.356 0.502 . . . . 12.44 112.356 -174.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.82 62.06 4.57 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.058 -0.817 . . . . 10.869999999999999 111.058 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -51.93 135.12 31.02 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 8.9800000000000004 111.963 -171.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.7 mt -82.73 48.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.408 -0.815 . . . . 9.4700000000000006 111.041 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 t -98.11 12.61 33.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 6.1900000000000004 109.644 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m 57.67 61.15 2.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.574 -0.739 . . . . 4.8399999999999999 110.796 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . -112.84 130.26 56.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.662 -0.699 . . . . 2.5099999999999998 109.841 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 68.6 m -95.82 105.25 17.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.457 0.646 . . . . 1.54 110.969 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.493 ' CH2' HD21 ' A' ' 77' ' ' LEU . 4.0 p-90 -99.68 153.73 18.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.27 -0.877 . . . . 0.46000000000000002 109.753 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 115.64 21.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.673 0.749 . . . . 2.3999999999999999 111.309 -174.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.8 tp -115.4 116.56 28.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.151 -0.931 . . . . 1.3899999999999999 109.329 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 5.6 p -85.18 119.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.329 0.585 . . . . 1.5700000000000001 110.284 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.45 122.86 70.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.654 -0.703 . . . . 1.04 109.826 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.597 ' HB2' HD13 ' A' ' 89' ' ' LEU . 70.8 mtp180 -89.96 115.38 27.22 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.862 -0.421 . . . . 3.46 109.862 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.703 HG11 ' HE2' ' A' ' 50' ' ' MET . 43.5 t -88.32 116.44 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.051 0.453 . . . . 1.1200000000000001 111.12 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.819 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 23.1 t70 -102.12 120.33 40.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.502 -0.772 . . . . 0.89000000000000001 109.731 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.12 116.5 23.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.968 -0.753 . . . . 1.3500000000000001 108.968 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.98 105.08 0.08 Allowed 'General case' 0 C--O 1.236 0.365 0 O-C-N 124.083 0.865 . . . . 2.0800000000000001 112.721 -171.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.88 35.8 25.17 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.354 -0.839 . . . . 4.6900000000000004 110.326 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.32 -115.19 1.64 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.462 -0.875 . . . . 3.21 112.44 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -71.06 170.76 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.813 0.34 . . . . 6.1399999999999997 110.768 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -75.39 171.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.217 -0.447 . . . . 4.4800000000000004 110.499 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 82.0 mt-30 -77.95 129.8 35.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.096 -0.502 . . . . 1.76 110.064 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 20.2 m -105.78 138.24 42.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 1.21 110.333 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.0 mp0 -97.14 103.15 15.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.034 0.445 . . . . 2.3399999999999999 109.919 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.97 109.73 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.907 -0.588 . . . . 1.21 110.436 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.595 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.2 m -91.66 113.23 25.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 1.1699999999999999 109.541 177.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 45' ' ' LYS . 91.1 mt -110.53 144.33 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.252 -0.431 . . . . 1.21 110.344 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 21.5 ptt180 -92.74 110.01 21.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.936 -0.764 . . . . 4.2800000000000002 108.936 174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' SER . 18.5 m -123.5 158.62 28.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.329 -0.85 . . . . 1.1100000000000001 110.768 -173.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 11.4 m -106.06 157.19 17.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.256 -0.429 . . . . 1.96 110.156 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 -18.35 73.13 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.695 -0.764 . . . . 0.76000000000000001 111.366 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.33 -21.03 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.14 -0.53 . . . . 2.21 110.417 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.3 tp -75.54 143.17 42.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.819 -0.628 . . . . 1.0600000000000001 109.998 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.831 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 39.9 p-80 -92.22 156.65 17.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.203 -0.295 . . . . 0.57999999999999996 110.203 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.545 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 16.8 mm -54.64 -39.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.767 0.427 . . . . 1.1000000000000001 112.15 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.27 68.45 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.06 -0.591 . . . . 0.28999999999999998 112.24 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -74.84 -32.63 56.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.936 -0.649 . . . . 0.37 111.538 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG23 HD11 ' A' ' 77' ' ' LEU . 32.7 t -65.04 -44.25 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.64 -0.504 . . . . 1.1000000000000001 109.64 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.555 ' HE1' ' HA ' ' A' ' 60' ' ' ALA . 63.9 mtt -54.34 -49.45 69.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.822 -0.626 . . . . 1.48 110.288 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -55.24 -44.75 75.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.991 -1.004 . . . . 1.6200000000000001 110.988 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 65.8 mttm -64.11 -38.28 90.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.37 -0.377 . . . . 1.8700000000000001 111.948 -177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 18' ' ' VAL . 2.9 mm? -61.89 -44.8 96.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 1.54 110.521 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.0 -41.3 87.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.503 . . . . 1.3 110.42 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.2 -48.35 76.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.826 -0.625 . . . . 2.3599999999999999 111.291 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.46 ' HA ' ' OE1' ' A' ' 49' ' ' GLN . 6.5 tp60 -61.02 -53.76 53.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 1.9099999999999999 111.65 -173.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.703 ' HE2' HG11 ' A' ' 18' ' ' VAL . 46.1 mtm -70.82 -30.69 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 1.3799999999999999 110.09 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 53.45 81.06 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.256 -0.884 . . . . 2.3199999999999998 110.666 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.2 mt -130.26 114.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.476 -0.783 . . . . 2.04 110.33 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.96 88.57 6.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 3.2400000000000002 110.798 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.28 173.21 11.71 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.744 -0.836 . . . . 4.1200000000000001 108.744 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.98 109.81 15.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.614 0.721 . . . . 2.9500000000000002 109.923 177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -91.36 71.58 6.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.657 -0.701 . . . . 2.1800000000000002 109.467 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 t -72.06 103.16 3.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.389 -0.823 . . . . 2.7799999999999998 111.022 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' HB3' ' CG ' ' A' ' 93' ' ' GLN . 1.7 m-20 60.41 81.85 0.17 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.433 -0.803 . . . . 2.77 111.642 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.716 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 25.1 p90 -101.65 142.29 33.22 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.367 -0.379 . . . . 4.6200000000000001 110.399 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -155.08 167.2 31.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.327 . . . . 1.28 111.173 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.762 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.4 mm? -93.01 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 1.8100000000000001 110.819 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 32.9 t-105 -111.9 112.39 24.01 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.464 -0.789 . . . . 0.65000000000000002 109.358 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.531 ' HB2' HD23 ' A' ' 70' ' ' LEU . 3.7 t90 -82.97 110.26 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 0.34999999999999998 108.586 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -68.68 -41.17 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.67 0.271 . . . . 2.3100000000000001 111.601 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.78 -17.72 64.08 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.955 0.354 . . . . 1.6899999999999999 111.955 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -110.72 -25.15 10.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.73 0.3 . . . . 1.6000000000000001 110.649 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 59.37 72.72 0.51 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.528 -0.76 . . . . 4.0099999999999998 109.757 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -159.12 150.09 19.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.47 -0.786 . . . . 2.3799999999999999 110.147 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -96.42 124.74 40.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.618 -0.512 . . . . 0.66000000000000003 109.618 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 63' ' ' TRP . 3.5 mm? -77.09 104.84 7.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 1.3300000000000001 109.846 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.7 mt -107.26 -15.91 14.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 1.3200000000000001 111.382 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.64 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -78.83 75.5 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.109 0.956 . . . . 2.4700000000000002 109.454 173.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.545 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 59.4 p -68.16 -34.22 75.91 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.663 -1.153 . . . . 1.26 111.905 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.406 ' CD2' ' HD1' ' A' ' 75' ' ' TRP . 8.6 p-80 -83.85 -0.14 49.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.898 -0.321 . . . . 3.7000000000000002 111.499 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.406 ' HD1' ' CD2' ' A' ' 74' ' ' HIS . 21.3 m0 -84.8 137.68 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.096 -0.705 . . . . 0.88 109.096 173.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.831 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 78.1 p -73.83 163.34 28.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 1.0700000000000001 110.752 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD21 ' CH2' ' A' ' 12' ' ' TRP . 6.2 mp -57.88 -41.32 82.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.976 -0.556 . . . . 1.26 110.85 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.6 -37.6 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.372 . . . . 1.49 110.593 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -62.86 -34.49 77.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 2.2999999999999998 110.619 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.73 -42.93 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.476 . . . . 1.6399999999999999 110.679 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.42 -1.91 32.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.34999999999999998 112.321 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.411 HG22 ' HB1' ' A' ' 86' ' ' ALA . 2.2 p -79.03 113.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.242 0.544 . . . . 1.1299999999999999 110.442 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -112.22 -169.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.797 -0.638 . . . . 2.7999999999999998 110.859 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.98 44.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.552 0.575 . . . . 1.1799999999999999 112.552 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.03 -1.8 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.803 0.335 . . . . 2.1400000000000001 110.796 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB1' HG22 ' A' ' 82' ' ' VAL . . . -91.25 136.84 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.988 0.423 . . . . 1.1499999999999999 111.419 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -84.7 114.97 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.912 -0.773 . . . . 2.1400000000000001 108.912 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.762 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.0 tp -121.86 128.08 51.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 1.1000000000000001 111.335 -172.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.597 HD13 ' HB2' ' A' ' 17' ' ' ARG . 14.4 tp -109.23 143.57 38.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 1.1100000000000001 109.064 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 33.9 t80 -120.82 108.57 14.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.052 0.453 . . . . 0.52000000000000002 110.317 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.819 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.32 147.23 39.42 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.966 -0.753 . . . . 1.1899999999999999 108.966 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.716 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 78.1 Cg_exo -51.48 139.56 46.2 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.112 1.875 . . . . 1.4099999999999999 111.479 173.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.504 ' CG ' ' HB3' ' A' ' 58' ' ' ASP . 24.3 pt20 -72.75 78.23 1.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.128 0.966 . . . . 2.1099999999999999 110.319 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -100.96 10.2 41.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.809 -1.087 . . . . 5.5 109.97 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.496 ' HZ1' ' HB2' ' A' ' 95' ' ' LYS . 9.2 mtmp? 69.22 142.5 0.04 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.996 -1.002 . . . . 7.4199999999999999 111.992 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 85.8 mtp . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.551 -0.749 . . . . 8.6400000000000006 109.709 175.297 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.081 -0.408 . . . . 26.32 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.452 HG13 ' HA ' ' A' ' 2' ' ' LEU . 47.2 mm 65.74 90.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.368 0.604 . . . . 25.109999999999999 111.395 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.675 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 35.2 m-20 -114.78 -56.53 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 23.260000000000002 111.34 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 4.1 Cg_exo -77.52 -3.55 13.74 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.318 2.012 . . . . 22.710000000000001 111.737 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.411 ' HB2' HG21 ' A' ' -4' ' ' ILE . 75.0 m-85 -115.63 179.22 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.542 -0.754 . . . . 19.989999999999998 109.846 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 28.1 p -122.0 163.61 19.07 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.087 -0.506 . . . . 18.510000000000002 110.384 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtm 65.66 88.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.755 0.66 . . . . 17.440000000000001 111.639 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.452 ' HA ' HG13 ' A' ' -4' ' ' ILE . 60.5 tp -73.82 -47.68 36.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 15.1 109.311 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m 49.49 68.73 0.68 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 124.087 0.867 . . . . 14.9 111.41 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -73.27 -20.56 60.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 12.44 110.928 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.78 -162.81 24.37 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.828 -0.701 . . . . 10.869999999999999 112.713 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.2 -35.5 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.29 . . . . 8.9800000000000004 110.485 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.1 mt 72.11 -61.85 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.481 -0.781 . . . . 9.4700000000000006 111.561 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -80.52 32.32 0.29 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.652 0.739 . . . . 6.1900000000000004 111.499 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -132.59 14.36 4.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 4.8399999999999999 109.473 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.03 -170.13 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.446 -0.797 . . . . 2.5099999999999998 109.852 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 12.1 m -83.52 94.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 1.54 110.269 176.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 9.2 p-90 -79.9 144.69 33.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.139 -0.937 . . . . 0.46000000000000002 110.377 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.88 105.67 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.547 . . . . 2.3999999999999999 111.503 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.5 tp -100.16 117.84 35.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.601 -0.727 . . . . 1.3899999999999999 109.741 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.77 118.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.553 0.692 . . . . 1.5700000000000001 110.113 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.05 123.69 71.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.238 -0.892 . . . . 1.04 109.124 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' O ' HD13 ' A' ' 89' ' ' LEU . 57.0 ttt180 -93.99 118.77 31.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.696 -0.483 . . . . 3.46 109.696 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG11 ' HD2' ' A' ' 90' ' ' PHE . 37.0 t -85.42 121.62 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.577 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.852 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 22.9 t70 -97.12 124.82 41.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.915 -0.772 . . . . 0.89000000000000001 108.915 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.464 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 17.1 m-70 -102.5 100.9 11.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.326 -0.397 . . . . 1.3500000000000001 111.675 -169.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 94.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.218 -0.66 . . . . 2.0800000000000001 109.218 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 44.8 t-20 -179.92 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 4.6900000000000004 109.307 -169.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.38 31.31 3.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.427 -0.669 . . . . 3.21 111.427 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 9.9 pt-20 -126.09 178.03 6.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.726 0.298 . . . . 6.1399999999999997 110.629 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -68.26 156.37 37.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 4.4800000000000004 111.822 -174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -87.41 153.9 21.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.612 . . . . 1.76 109.349 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -121.2 130.74 53.85 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.594 -0.275 . . . . 1.21 110.84 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.49 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.47 -0.567 . . . . 2.3399999999999999 109.47 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -101.65 123.86 55.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.83 -0.623 . . . . 1.21 111.254 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -97.94 107.08 19.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.019 -0.537 . . . . 1.1699999999999999 109.974 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 ' HG ' HG22 ' A' ' 29' ' ' ILE . 90.5 mt -107.12 133.8 51.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.214 -0.448 . . . . 1.21 110.187 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -91.82 108.47 19.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.691 -0.855 . . . . 4.2800000000000002 108.691 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' SER . 28.1 m -127.35 146.37 33.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.462 -0.79 . . . . 1.1100000000000001 111.29 -172.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -92.73 154.15 18.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.747 -0.66 . . . . 1.96 109.302 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -58.78 -26.62 60.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.084 -0.579 . . . . 0.76000000000000001 112.98 -176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.31 15.06 14.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.694 0.283 . . . . 2.21 111.763 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 tp -85.76 126.59 34.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.518 . . . . 1.0600000000000001 109.603 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.4 p-80 -76.17 146.74 38.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.57999999999999996 111.116 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 HG21 ' HB3' ' A' ' 70' ' ' LEU . 16.6 mm -52.22 -43.21 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.382 0.673 . . . . 1.1000000000000001 112.191 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.56 60.6 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.116 -0.564 . . . . 0.28999999999999998 112.766 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -79.57 -37.22 24.16 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.383 -0.687 . . . . 0.37 111.383 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.19 -43.29 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.549 -0.538 . . . . 1.1000000000000001 109.549 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.44 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 73.0 mtp -54.01 -41.87 68.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.359 -0.837 . . . . 1.48 111.544 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.34 -36.58 79.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.4 . . . . 1.6200000000000001 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.2 mttt -65.66 -32.4 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.8700000000000001 111.248 -176.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -59.0 -52.34 66.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.37 . . . . 1.54 110.157 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.52 -41.53 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 1.3 110.79 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.89 -32.13 73.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.855 -0.611 . . . . 2.3599999999999999 111.591 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 15.2 mm100 -66.57 -54.15 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 1.9099999999999999 111.782 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.572 ' HB3' HG13 ' A' ' 52' ' ' ILE . 3.8 mpp? -77.02 -43.51 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.027 -0.269 . . . . 1.3799999999999999 111.02 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.0 t30 55.44 41.66 30.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.441 0.639 . . . . 2.3199999999999998 110.956 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG13 ' HB3' ' A' ' 50' ' ' MET . 61.9 mt -80.26 129.15 38.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.431 -0.581 . . . . 2.04 109.431 176.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.06 83.7 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 3.2400000000000002 111.927 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -152.64 174.08 14.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 4.1200000000000001 109.456 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.33 104.61 6.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 2.9500000000000002 111.235 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -96.68 35.43 1.52 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.102 -0.703 . . . . 2.1800000000000002 109.102 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 m -68.25 -39.27 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 2.7799999999999998 110.493 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -103.64 103.24 13.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 2.77 109.765 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.661 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.4 p90 -155.85 147.56 23.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.88 -0.6 . . . . 4.6200000000000001 110.628 -176.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.15 170.91 7.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 1.28 110.281 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.797 HD13 ' HG ' ' A' ' 88' ' ' LEU . 2.0 mm? -91.98 125.81 36.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 1.8100000000000001 111.117 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.6 t-105 -102.99 111.2 23.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.65000000000000002 109.573 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -82.79 108.63 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.098 -1.075 . . . . 0.34999999999999998 108.098 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.75 -35.61 75.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 2.3100000000000001 111.439 -171.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.461 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 91.9 mt-30 -68.02 -45.78 73.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 1.6899999999999999 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 70.9 mmtt -96.09 -1.52 48.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.059 -0.256 . . . . 1.6000000000000001 111.156 -175.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 54.14 53.17 11.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.024 -0.534 . . . . 4.0099999999999998 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.6 p -142.24 148.07 37.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.391 . . . . 2.3799999999999999 111.272 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.9 132.49 43.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.074 -0.512 . . . . 0.66000000000000003 109.793 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.5 mm? -82.63 103.19 11.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.173 -0.677 . . . . 1.3300000000000001 109.173 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -115.22 -11.6 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.008 -0.542 . . . . 1.3200000000000001 110.924 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.86 79.49 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.631 -0.877 . . . . 2.4700000000000002 108.631 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' SD ' ' A' ' 43' ' ' MET . 18.8 p -67.54 -19.52 65.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.372 -0.831 . . . . 1.26 112.54 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -86.01 -17.42 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 3.7000000000000002 110.494 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -77.0 149.23 35.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.386 -0.37 . . . . 0.88 110.221 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 60.0 p -95.0 174.29 7.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.251 -0.431 . . . . 1.0700000000000001 110.77 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -41.63 90.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.17 0.51 . . . . 1.26 109.646 173.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.73 -37.41 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.128 -0.942 . . . . 1.49 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -69.1 -42.6 75.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 2.2999999999999998 110.627 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.37 -34.89 63.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 1.6399999999999999 111.065 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.47 20.88 25.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.34999999999999998 112.525 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.36 127.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 1.1299999999999999 110.58 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -109.7 -179.62 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.766 -0.652 . . . . 2.7999999999999998 110.104 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.18 66.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.088 0.471 . . . . 1.1799999999999999 110.962 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -83.61 19.76 1.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.779 -0.646 . . . . 2.1400000000000001 111.074 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.04 136.4 49.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.891 0.377 . . . . 1.1499999999999999 111.077 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.461 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 2.8 m-20 -71.91 96.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 2.1400000000000001 109.58 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.797 ' HG ' HD13 ' A' ' 61' ' ' LEU . 14.4 tp -110.77 116.21 30.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.172 0.511 . . . . 1.1000000000000001 110.166 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 17' ' ' ARG . 21.3 tp -108.02 130.21 55.08 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.466 -0.788 . . . . 1.1100000000000001 109.28 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.661 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 63.1 t80 -103.27 107.62 18.52 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.462 -0.57 . . . . 0.52000000000000002 109.462 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.852 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -144.32 151.36 51.09 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 1.1899999999999999 110.212 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.12 144.59 89.79 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.733 2.288 . . . . 1.4099999999999999 111.789 172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -96.91 -2.64 43.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 2.1099999999999999 111.224 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -122.16 154.93 36.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 5.5 110.657 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 59.65 77.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.9 0.75 . . . . 7.4199999999999999 111.293 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.19 -0.914 . . . . 8.6400000000000006 109.68 179.778 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.792 -0.523 . . . . 26.32 111.792 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.26 131.6 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.343 . . . . 25.109999999999999 110.608 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -136.89 125.14 14.8 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.4 -0.363 . . . . 23.260000000000002 110.555 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.98 144.38 94.5 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.897 2.398 . . . . 22.710000000000001 112.163 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.47 177.06 6.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.19 -0.459 . . . . 19.989999999999998 110.491 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 20.0 m -78.22 105.03 9.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.076 0.465 . . . . 18.510000000000002 110.193 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp -97.43 161.54 13.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.077 -0.511 . . . . 17.440000000000001 110.717 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt 62.04 23.71 14.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.943 -0.572 . . . . 15.1 112.242 174.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -163.24 76.28 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.239 0.542 . . . . 14.9 110.15 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.1 m -152.13 53.35 0.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 12.44 110.616 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.38 43.48 62.08 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.731 -0.747 . . . . 10.869999999999999 111.535 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.58 -31.92 67.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 8.9800000000000004 111.064 -175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' HD13 ' A' ' 7' ' ' LEU . 1.9 pp -132.47 147.12 52.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.981 0.42 . . . . 9.4700000000000006 111.21 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -85.5 68.59 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.849 -0.614 . . . . 6.1900000000000004 110.325 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 m 66.57 -70.93 0.1 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.382 -0.826 . . . . 4.8399999999999999 111.164 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.06 158.26 5.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.605 -0.517 . . . . 2.5099999999999998 109.605 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 t -139.47 127.54 22.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.466 0.651 . . . . 1.54 109.479 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 17.6 p-90 -148.05 159.91 43.41 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.825 -1.08 . . . . 0.46000000000000002 110.215 -172.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.17 115.36 27.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.172 0.51 . . . . 2.3999999999999999 110.606 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 55.8 tp -94.72 125.23 39.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 1.3899999999999999 110.054 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 p -93.36 119.48 41.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.493 0.663 . . . . 1.5700000000000001 109.837 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.478 ' HB ' HD11 ' A' ' 46' ' ' LEU . 61.9 t -122.58 127.03 74.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.717 -0.674 . . . . 1.04 109.755 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.601 ' O ' HD13 ' A' ' 89' ' ' LEU . 77.8 mtp180 -95.96 120.05 35.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.318 -0.623 . . . . 3.46 109.318 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG11 ' HE2' ' A' ' 50' ' ' MET . 54.9 t -90.89 130.95 39.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.883 -0.598 . . . . 1.1200000000000001 111.329 -175.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.593 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 14.4 t70 -97.75 131.18 44.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.727 -0.842 . . . . 0.89000000000000001 108.727 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.833 -0.347 . . . . 1.3500000000000001 110.897 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 -8.56 58.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 2.0800000000000001 110.086 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -86.15 -62.42 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.307 -0.86 . . . . 4.6900000000000004 109.623 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.06 -148.44 23.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.709 -0.758 . . . . 3.21 111.429 174.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -149.72 5.71 0.61 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.827 0.306 . . . . 6.1399999999999997 111.827 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.51 127.6 48.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 110.035 -0.357 . . . . 4.4800000000000004 110.035 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.36 132.29 48.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 1.76 110.205 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -99.25 135.51 40.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.316 -0.402 . . . . 1.21 110.039 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.5 mp0 -97.31 109.0 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 2.3399999999999999 110.425 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.566 HG21 ' HG2' ' A' ' 49' ' ' GLN . 46.5 mm -106.64 136.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.498 -0.774 . . . . 1.21 110.202 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m -120.21 105.34 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.035 0.445 . . . . 1.1699999999999999 110.133 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HG ' HG23 ' A' ' 29' ' ' ILE . 94.8 mt -110.57 144.64 39.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 1.21 110.828 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -92.57 109.29 20.7 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.017 -0.735 . . . . 4.2800000000000002 109.017 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.86 147.48 20.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.097 0.475 . . . . 1.1100000000000001 111.155 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -99.52 157.94 16.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.69 -0.686 . . . . 1.96 109.94 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -25.85 63.87 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.128 -0.558 . . . . 0.76000000000000001 112.34 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -99.96 22.43 11.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.417 0.627 . . . . 2.21 110.541 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.71 121.04 39.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.624 -0.51 . . . . 1.0600000000000001 109.624 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.636 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.3 p-80 -77.24 149.94 35.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.57999999999999996 111.413 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 75' ' ' TRP . 15.5 mm -53.81 -40.1 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 115.737 -0.665 . . . . 1.1000000000000001 111.886 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.8 -31.28 60.75 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.156 -0.545 . . . . 0.28999999999999998 112.598 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.43 -38.21 29.34 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.273 -0.731 . . . . 0.37 111.273 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.91 -42.35 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.631 -0.507 . . . . 1.1000000000000001 109.631 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' HG22 ' A' ' 73' ' ' THR . 74.3 mtp -52.4 -50.56 62.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.697 -0.683 . . . . 1.48 111.326 177.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.35 -37.85 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 1.6200000000000001 110.879 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 36.9 mttp -66.75 -30.68 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 1.8700000000000001 111.809 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.1 mm? -58.17 -48.68 79.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 1.54 109.945 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.98 -41.37 89.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 1.3 110.319 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 34.3 tt0 -60.28 -45.26 93.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 2.3599999999999999 111.525 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.566 ' HG2' HG21 ' A' ' 29' ' ' ILE . 8.5 tp-100 -64.7 -38.37 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.888 -0.597 . . . . 1.9099999999999999 111.152 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.469 ' HE2' HG11 ' A' ' 18' ' ' VAL . 68.9 mtm -79.42 -36.98 38.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 1.3799999999999999 111.062 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 58.28 41.2 23.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.718 0.77 . . . . 2.3199999999999998 109.733 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.4 mt -102.63 118.38 49.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 115.482 -0.781 . . . . 2.04 110.231 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.64 71.9 8.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.977 -0.556 . . . . 3.2400000000000002 111.458 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -112.13 179.95 3.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.392 -0.966 . . . . 4.1200000000000001 108.392 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.29 91.46 8.8 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.447 -0.501 . . . . 2.9500000000000002 110.468 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' HB3' ' HB3' ' A' ' 59' ' ' TYR . 92.2 m95 -77.86 -67.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.927 -0.579 . . . . 2.1800000000000002 109.996 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m 64.74 -68.75 0.1 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.932 0.77 . . . . 2.7799999999999998 112.496 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -109.01 35.14 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.228 0.537 . . . . 2.77 110.299 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 30.2 p90 -64.01 132.87 51.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.478 -0.783 . . . . 4.6200000000000001 110.36 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.59 174.79 14.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.745 0.307 . . . . 1.28 110.702 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.9 mm? -94.38 133.35 38.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.254 0.549 . . . . 1.8100000000000001 111.09 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -110.58 110.66 21.45 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.65000000000000002 109.166 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.82 108.74 16.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.888 -1.153 . . . . 0.34999999999999998 107.888 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -67.64 -40.07 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 2.3100000000000001 110.925 -172.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.31 -23.14 64.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.808 -0.633 . . . . 1.6899999999999999 111.491 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -104.81 -13.92 15.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.556 -0.293 . . . . 1.6000000000000001 110.924 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 57.05 41.78 26.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.316 0.579 . . . . 4.0099999999999998 110.154 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -131.38 149.3 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.339 -0.846 . . . . 2.3799999999999999 110.868 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.409 ' CZ3' ' HB3' ' A' ' 93' ' ' GLN . 88.7 m95 -95.7 135.75 36.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 0.66000000000000003 109.235 176.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.78 104.26 13.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.001 0.429 . . . . 1.3300000000000001 110.145 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -111.49 -1.37 15.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.757 -0.656 . . . . 1.3200000000000001 109.528 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HD3' ' CE3' ' A' ' 75' ' ' TRP . 51.1 mttp -80.31 69.46 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.181 -0.918 . . . . 2.4700000000000002 109.273 174.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' SD ' ' A' ' 43' ' ' MET . 34.0 p -65.19 -31.37 72.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.089 -0.96 . . . . 1.26 111.88 -173.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -85.33 -11.47 54.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 3.7000000000000002 110.623 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.445 ' CE3' ' HD3' ' A' ' 72' ' ' LYS . 15.6 m0 -85.72 151.81 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.505 . . . . 0.88 109.887 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.5 p -94.23 175.9 6.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.628 -0.26 . . . . 1.0700000000000001 111.088 -176.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -48.21 82.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.155 0.503 . . . . 1.26 109.884 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.48 -39.38 94.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.455 -0.793 . . . . 1.49 110.663 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 58.6 tptt -67.03 -39.23 86.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 2.2999999999999998 111.262 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.83 -37.18 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 1.6399999999999999 111.136 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.67 5.76 41.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.34999999999999998 112.665 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.38 131.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.957 0.408 . . . . 1.1299999999999999 110.449 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.56 -175.54 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.618 . . . . 2.7999999999999998 110.268 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.0 65.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.43 . . . . 1.1799999999999999 111.578 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.93 -16.23 55.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 2.1400000000000001 111.197 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.31 137.33 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.448 -0.342 . . . . 1.1499999999999999 111.453 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -74.79 107.94 7.21 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.072 -0.513 . . . . 2.1400000000000001 110.049 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.672 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.9 tp -113.71 125.81 54.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 1.1000000000000001 110.507 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 17' ' ' ARG . 21.4 tp -104.99 137.62 42.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.774 -0.648 . . . . 1.1100000000000001 109.532 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 61.3 t80 -109.22 109.7 20.71 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.524 -0.47 . . . . 0.52000000000000002 109.882 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.593 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 6.5 t -142.67 142.14 22.13 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.262 -0.427 . . . . 1.1899999999999999 110.447 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.701 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 55.9 Cg_endo -72.87 134.47 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.202 1.935 . . . . 1.4099999999999999 111.804 174.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 69' ' ' TRP . 9.6 pt20 -96.66 77.66 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.44 0.638 . . . . 2.1099999999999999 109.846 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -81.75 0.24 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.038 -0.528 . . . . 5.5 111.685 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -146.61 101.94 3.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.851 0.357 . . . . 7.4199999999999999 110.753 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.187 -0.911 . . . . 8.6400000000000006 109.781 177.712 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.459 -0.656 . . . . 26.32 111.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 40.0 pt -133.85 152.67 35.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.974 0.416 . . . . 25.109999999999999 111.074 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.31 123.74 25.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.78 -0.822 . . . . 23.260000000000002 108.78 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.39 108.12 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.01 2.473 . . . . 22.710000000000001 112.873 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -121.76 111.82 17.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.638 -0.71 . . . . 19.989999999999998 109.416 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 14.4 m -142.11 -77.32 0.27 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.626 -0.261 . . . . 18.510000000000002 111.039 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt 66.54 -66.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.571 0.748 . . . . 17.440000000000001 111.817 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -123.38 99.29 6.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.857 -0.423 . . . . 15.1 109.857 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -127.02 111.59 14.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.026 -0.534 . . . . 14.9 109.593 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 t -153.78 141.19 19.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.231 -0.441 . . . . 12.44 109.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.3 9.21 64.97 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.036 -0.602 . . . . 10.869999999999999 111.669 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.11 117.68 6.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.721 0.296 . . . . 8.9800000000000004 110.519 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -115.67 29.72 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.453 -0.34 . . . . 9.4700000000000006 110.845 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -62.74 -34.15 76.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 6.1900000000000004 110.315 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -74.58 98.13 3.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.653 -0.703 . . . . 4.8399999999999999 110.24 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.41 77.9 9.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.468 . . . . 2.5099999999999998 110.302 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -110.31 120.58 42.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.464 0.65 . . . . 1.54 110.124 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.554 ' CH2' HD22 ' A' ' 77' ' ' LEU . 5.4 p-90 -131.26 148.05 52.65 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.866 -1.061 . . . . 0.46000000000000002 109.613 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 30' ' ' THR . 12.3 pt-20 -88.55 122.82 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.559 0.695 . . . . 2.3999999999999999 110.543 -177.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 84' ' ' ALA . 65.1 tp -111.86 118.0 34.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.081 -0.963 . . . . 1.3899999999999999 110.146 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG21 ' HG3' ' A' ' 28' ' ' GLU . 3.0 p -82.4 119.09 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.428 0.632 . . . . 1.5700000000000001 109.981 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.596 ' HB ' HD21 ' A' ' 46' ' ' LEU . 41.1 t -106.16 122.23 59.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 1.04 109.2 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' O ' HD11 ' A' ' 89' ' ' LEU . 8.3 mpt_? -81.68 111.32 17.84 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.147 -0.686 . . . . 3.46 109.147 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.532 ' HB ' ' HB ' ' A' ' 27' ' ' THR . 42.6 t -94.9 113.29 29.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 120.902 0.382 . . . . 1.1200000000000001 110.966 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 125.36 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.965 -0.561 . . . . 0.89000000000000001 109.553 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -100.89 76.02 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.224 -0.59 . . . . 1.3500000000000001 110.323 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 42.6 38.67 1.35 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.931 -1.031 . . . . 2.0800000000000001 113.697 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 HD22 ' HB2' ' A' ' 25' ' ' GLN . 33.5 p30 -155.03 -26.5 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.411 0.893 . . . . 4.6900000000000004 113.411 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.62 -38.13 3.03 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.794 -0.717 . . . . 3.21 112.637 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.09 -28.03 61.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 6.1399999999999997 111.602 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HB2' HD22 ' A' ' 22' ' ' ASN . 72.2 mt-30 -110.63 93.04 4.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.897 -0.592 . . . . 4.4800000000000004 110.381 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -113.29 112.17 23.27 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.301 -0.863 . . . . 1.76 109.699 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.532 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 21.6 m -86.74 141.56 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.535 -0.757 . . . . 1.21 110.902 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' HG3' HG21 ' A' ' 15' ' ' VAL . 21.7 tt0 -98.65 110.66 23.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.027 0.442 . . . . 2.3399999999999999 109.845 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.46 104.37 16.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 1.21 109.324 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 6.7 m -96.09 107.06 19.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.777 -0.647 . . . . 1.1699999999999999 109.899 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.071 -0.513 . . . . 1.21 110.368 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.599 -1.26 . . . . 4.2800000000000002 107.599 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.8 m -131.24 164.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.225 0.536 . . . . 1.1100000000000001 111.85 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -126.91 157.21 40.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.96 109.743 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.646 ' HA3' ' OD2' ' A' ' 78' ' ' ASP . . . -61.87 -19.39 58.63 Favored Glycine 0 N--CA 1.454 -0.149 0 C-N-CA 121.151 -0.547 . . . . 0.76000000000000001 113.562 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.75 -3.92 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.681 0.276 . . . . 2.21 111.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 77' ' ' LEU . 54.3 tp -83.63 139.09 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.681 -0.489 . . . . 1.0600000000000001 109.681 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 45.6 p-80 -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.78 0.324 . . . . 0.57999999999999996 111.115 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.0 mm -54.11 -41.78 52.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.561 -0.745 . . . . 1.1000000000000001 112.593 -175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -31.11 66.3 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.992 -0.623 . . . . 0.28999999999999998 112.349 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.42 -40.76 47.25 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.266 -0.733 . . . . 0.37 111.266 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.672 HG23 HD13 ' A' ' 77' ' ' LEU . 41.4 t -61.32 -44.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 1.1000000000000001 109.983 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.626 ' HA ' HD11 ' A' ' 46' ' ' LEU . 64.0 mtp -60.23 -39.44 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.485 -0.779 . . . . 1.48 110.941 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -71.25 -43.31 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 1.6200000000000001 110.787 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.77 -28.52 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 1.8700000000000001 111.192 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.626 HD11 ' HA ' ' A' ' 43' ' ' MET . 42.7 mt -62.27 -51.67 66.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.339 -0.391 . . . . 1.54 110.897 176.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.54 -39.08 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 1.3 110.262 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.7 -43.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.803 -0.635 . . . . 2.3599999999999999 110.608 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.19 -46.65 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.624 . . . . 1.9099999999999999 110.537 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.535 ' HB3' HG13 ' A' ' 52' ' ' ILE . 73.6 mtm -66.92 -37.67 84.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.055 -0.521 . . . . 1.3799999999999999 110.763 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.9 t30 65.36 23.09 12.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.655 0.741 . . . . 2.3199999999999998 110.102 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 50' ' ' MET . 75.9 mt -82.66 109.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 2.04 110.439 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.02 87.79 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.471 . . . . 3.2400000000000002 110.945 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HG2' HG22 ' A' ' 52' ' ' ILE . 15.8 mm100 -124.09 179.55 4.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.757 -0.656 . . . . 4.1200000000000001 109.643 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.79 83.49 4.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.477 . . . . 2.9500000000000002 110.537 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.19 65.0 8.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 2.1800000000000002 109.647 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -69.77 -50.79 39.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 2.7799999999999998 110.605 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 59' ' ' TYR . 1.3 p30 -94.41 -83.41 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.532 . . . . 2.77 111.359 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 5.5 p90 54.89 130.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.204 1.402 . . . . 4.6200000000000001 112.906 -177.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -155.26 159.67 40.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 1.28 110.634 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 88' ' ' LEU . 22.3 tp -92.75 141.83 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.559 -0.534 . . . . 1.8100000000000001 109.559 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -123.91 123.0 39.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.091 0.472 . . . . 0.65000000000000002 110.633 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.4 t90 -89.08 110.46 21.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.108 -0.701 . . . . 0.34999999999999998 109.108 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.89 -35.83 79.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 2.3100000000000001 111.727 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.729 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 24.2 mt-30 -84.84 3.48 37.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.57 -0.286 . . . . 1.6899999999999999 111.712 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.7 -30.53 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.151 -0.22 . . . . 1.6000000000000001 111.495 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 64.87 80.32 0.23 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.287 0.565 . . . . 4.0099999999999998 110.291 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -168.76 148.19 4.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 2.3799999999999999 109.831 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -96.04 122.63 39.07 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.66000000000000003 109.002 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.8 mm? -75.49 103.5 5.65 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.552 -0.536 . . . . 1.3300000000000001 109.552 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -108.16 -2.01 19.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.392 -0.966 . . . . 1.3200000000000001 108.392 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 88.1 mttt -76.93 59.54 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.348 -1.296 . . . . 2.4700000000000002 109.343 174.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -67.85 -25.46 65.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 1.26 111.374 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -89.67 0.39 56.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 3.7000000000000002 110.688 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.509 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 11.4 m0 -92.39 144.19 25.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.88 109.367 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.768 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 53.9 p -84.82 169.75 13.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.945 0.402 . . . . 1.0700000000000001 111.222 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD13 HG23 ' A' ' 42' ' ' VAL . 4.9 mp -58.07 -48.84 78.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.821 -0.627 . . . . 1.26 111.245 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.646 ' OD2' ' HA3' ' A' ' 35' ' ' GLY . 1.9 m-20 -70.53 -30.01 66.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.493 -0.322 . . . . 1.49 110.945 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 56.0 tptt -64.55 -40.99 96.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.98 0.419 . . . . 2.2999999999999998 110.401 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -79.14 -33.16 44.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.6399999999999999 110.61 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.66 20.02 20.7 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.684 -0.769 . . . . 0.34999999999999998 112.415 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.34 118.54 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 1.1299999999999999 110.576 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -105.93 -173.0 2.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.451 -0.795 . . . . 2.7999999999999998 110.877 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -71.67 -30.25 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.411 . . . . 1.1799999999999999 110.839 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.41 44.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.805 0.812 . . . . 2.1400000000000001 109.867 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.54 127.6 37.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 1.1499999999999999 110.302 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.729 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 5.1 m-20 -65.21 110.85 2.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.271 -0.422 . . . . 2.1400000000000001 110.016 177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.573 HD22 HD23 ' A' ' 61' ' ' LEU . 20.5 tp -123.79 127.04 47.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 1.1000000000000001 110.48 -174.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.553 HD11 ' O ' ' A' ' 17' ' ' ARG . 25.3 tp -115.47 148.51 39.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.653 -0.703 . . . . 1.1100000000000001 109.698 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -125.97 110.83 14.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.247 -0.649 . . . . 0.52000000000000002 109.247 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -141.52 140.3 20.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.986 -0.552 . . . . 1.1899999999999999 110.13 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.576 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 34.5 Cg_endo -65.79 132.62 31.1 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.243 1.962 . . . . 1.4099999999999999 111.621 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.21 31.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.418 0.628 . . . . 2.1099999999999999 110.267 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 92' ' ' PRO . 35.8 t-80 -79.15 53.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.157 -0.929 . . . . 5.5 110.209 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.55 28.15 8.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.05 0.928 . . . . 7.4199999999999999 109.83 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 49.9 ttp . . . . . 0 C--O 1.25 1.118 0 CA-C-N 114.979 -1.009 . . . . 8.6400000000000006 109.372 177.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.776 -0.53 . . . . 26.32 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 9.8 tp -123.12 -25.16 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.759 0.314 . . . . 25.109999999999999 110.982 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.8 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 26.4 t70 -71.44 -54.6 6.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 23.260000000000002 110.777 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.8 ' HD3' ' HB3' ' A' ' -3' ' ' ASP . 3.2 Cg_exo -77.64 105.2 1.99 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.074 1.849 . . . . 22.710000000000001 110.782 172.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -105.7 162.58 13.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.184 -0.462 . . . . 19.989999999999998 110.551 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 28.2 m -70.58 116.37 10.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 18.510000000000002 109.814 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.44 158.95 16.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 17.440000000000001 110.459 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.731 ' H ' HD22 ' A' ' 2' ' ' LEU . 1.8 pt? -79.67 43.31 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.302 -0.408 . . . . 15.1 111.831 -174.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -60.63 -35.63 76.66 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.287 -0.635 . . . . 14.9 109.287 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -134.14 82.91 2.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.371 -0.831 . . . . 12.44 108.989 170.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.64 44.12 0.47 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.724 -0.671 . . . . 10.869999999999999 111.744 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -159.52 -77.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.802 -0.444 . . . . 8.9800000000000004 109.802 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.4 mt 57.41 22.88 8.38 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.716 -0.674 . . . . 9.4700000000000006 111.931 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 m -116.04 -54.88 2.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.117 -0.233 . . . . 6.1900000000000004 110.622 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 m 62.13 27.57 16.6 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.662 0.601 . . . . 4.8399999999999999 111.154 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.12 154.82 19.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 2.5099999999999998 111.073 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -103.19 125.07 49.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.179 -0.675 . . . . 1.54 109.179 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.664 ' CH2' HD21 ' A' ' 77' ' ' LEU . 3.8 p-90 -102.49 161.45 13.71 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.757 -0.656 . . . . 0.46000000000000002 111.541 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -81.58 110.53 17.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 2.3999999999999999 111.167 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.6 tp -104.21 119.59 39.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.117 -0.697 . . . . 1.3899999999999999 109.117 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -92.22 119.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.616 0.722 . . . . 1.5700000000000001 109.994 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.573 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 57.0 t -116.09 112.69 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.469 -0.787 . . . . 1.04 109.337 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.753 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 39.3 mtm180 -87.28 111.55 21.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.011 -0.54 . . . . 3.46 110.093 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.613 HG13 ' HE1' ' A' ' 50' ' ' MET . 39.7 t -83.17 112.03 20.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.973 -0.558 . . . . 1.1200000000000001 110.762 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.35 105.32 17.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.485 -0.78 . . . . 0.89000000000000001 109.583 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -72.01 156.55 39.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.01 -0.541 . . . . 1.3500000000000001 109.748 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.24 -50.18 30.57 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.525 0.516 . . . . 2.0800000000000001 112.221 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -136.63 172.2 13.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.447 0.641 . . . . 4.6900000000000004 110.451 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.64 -17.4 58.98 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 114.94 -1.027 . . . . 3.21 111.597 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 49.21 72.04 0.33 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.432 0.634 . . . . 6.1399999999999997 111.312 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -136.3 98.83 3.94 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.511 -0.768 . . . . 4.4800000000000004 109.507 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.98 96.08 9.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.14 0.495 . . . . 1.76 110.252 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 26.6 m -78.41 128.04 33.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.54 -0.755 . . . . 1.21 110.286 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.753 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.4 mt-10 -97.7 101.1 12.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.164 0.506 . . . . 2.3399999999999999 110.493 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.442 HG21 ' HG2' ' A' ' 49' ' ' GLN . 50.4 mm -96.85 122.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.509 -0.768 . . . . 1.21 110.181 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m -100.0 102.92 14.42 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.168 -0.469 . . . . 1.1699999999999999 109.905 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' HG ' HG23 ' A' ' 29' ' ' ILE . 91.0 mt -104.4 140.55 37.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.24 -0.436 . . . . 1.21 110.541 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 32' ' ' ARG . 37.8 ttp180 -95.61 107.9 20.13 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.937 -0.764 . . . . 4.2800000000000002 108.937 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.4 159.39 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.874 -0.603 . . . . 1.1100000000000001 111.406 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -115.4 162.04 17.7 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.457 -0.571 . . . . 1.96 109.457 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -61.51 -25.83 65.69 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.401 -0.428 . . . . 0.76000000000000001 114.167 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.82 -7.08 50.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.181 0.491 . . . . 2.21 111.82 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HD11 ' A' ' 77' ' ' LEU . 52.5 tp -79.03 137.03 37.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.498 -0.556 . . . . 1.0600000000000001 109.498 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.873 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -85.55 150.11 24.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.178 -0.209 . . . . 0.57999999999999996 110.594 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.736 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.6 mm -54.32 -38.8 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 122.941 0.497 . . . . 1.1000000000000001 112.162 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.63 -30.05 71.28 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.812 -0.709 . . . . 0.28999999999999998 112.235 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.77 -35.44 54.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.209 -0.756 . . . . 0.37 111.209 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.679 HG22 HD12 ' A' ' 77' ' ' LEU . 42.0 t -63.04 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.54 -0.541 . . . . 1.1000000000000001 109.54 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.762 ' HE3' ' HA ' ' A' ' 60' ' ' ALA . 52.6 ttm -54.1 -47.37 71.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.573 -0.739 . . . . 1.48 110.612 177.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.9 -38.97 93.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.808 -0.633 . . . . 1.6200000000000001 110.894 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.22 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.452 -0.34 . . . . 1.8700000000000001 111.776 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.3 mm? -62.42 -46.84 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 1.54 110.269 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.97 -41.24 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 1.3 110.077 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.27 -38.34 83.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 2.3599999999999999 111.399 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HG2' HG21 ' A' ' 29' ' ' ILE . 9.0 tp-100 -72.5 -31.75 65.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.292 -0.413 . . . . 1.9099999999999999 111.598 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.613 ' HE1' HG13 ' A' ' 18' ' ' VAL . 69.8 mtm -95.13 -35.34 11.93 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.845 -0.342 . . . . 1.3799999999999999 111.709 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 m120 56.6 77.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.167 0.508 . . . . 2.3199999999999998 111.202 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.6 mt -131.97 130.58 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.323 -0.621 . . . . 2.04 109.323 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.52 75.97 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.155 0.503 . . . . 3.2400000000000002 110.66 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -116.81 163.24 16.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.68 -0.691 . . . . 4.1200000000000001 110.153 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.83 101.6 12.78 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.274 -1.009 . . . . 2.9500000000000002 108.274 170.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -78.21 -20.17 52.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.614 -0.721 . . . . 2.1800000000000002 110.795 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 m 55.34 -97.56 0.07 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.004 0.742 . . . . 2.7799999999999998 113.004 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 93' ' ' GLN . 18.8 p-10 -113.8 22.04 14.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 2.77 110.478 -173.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.17 142.07 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.118 -0.946 . . . . 4.6200000000000001 111.252 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.762 ' HA ' ' HE3' ' A' ' 43' ' ' MET . . . -156.33 175.65 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 1.28 111.576 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.679 HD13 ' HG ' ' A' ' 88' ' ' LEU . 2.3 mm? -91.77 142.14 27.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.923 -0.581 . . . . 1.8100000000000001 110.998 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 22.3 t-105 -118.75 118.93 32.92 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.492 -0.776 . . . . 0.65000000000000002 109.089 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.512 ' HB2' HD22 ' A' ' 70' ' ' LEU . 3.8 t90 -82.19 110.22 17.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.093 -1.077 . . . . 0.34999999999999998 108.093 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.76 -36.62 80.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.575 -0.739 . . . . 2.3100000000000001 111.543 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -74.09 -31.03 62.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.998 -0.546 . . . . 1.6899999999999999 111.741 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 74.9 mmtt -103.35 -11.19 18.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.6000000000000001 110.776 -175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 58.06 55.0 5.5 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.385 0.612 . . . . 4.0099999999999998 110.558 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.0 p -145.73 151.58 38.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 2.3799999999999999 110.566 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -94.48 132.52 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.35 -0.611 . . . . 0.66000000000000003 109.35 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 63' ' ' TRP . 3.4 mm? -82.37 103.16 11.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.093 0.473 . . . . 1.3300000000000001 109.747 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.2 mt -103.33 4.39 36.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.61 -0.885 . . . . 1.3200000000000001 108.61 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 60.8 mttp -85.35 51.45 2.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.395 -1.275 . . . . 2.4700000000000002 109.577 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 23.7 p -67.5 -27.46 67.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 1.26 111.464 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.17 -15.14 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.326 0.584 . . . . 3.7000000000000002 110.156 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 8.9 m0 -87.0 151.64 23.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.769 -0.65 . . . . 0.88 109.638 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.873 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.8 p -85.48 166.64 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.385 -0.37 . . . . 1.0700000000000001 111.049 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD12 HG22 ' A' ' 42' ' ' VAL . 6.4 mp -58.14 -43.17 87.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 1.26 110.435 176.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.4 -33.98 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 1.49 110.695 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -67.92 -44.84 75.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 2.2999999999999998 110.354 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.23 -52.4 23.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 1.6399999999999999 111.065 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.44 5.41 12.75 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.582 -0.818 . . . . 0.34999999999999998 112.687 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.84 114.99 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.183 0.516 . . . . 1.1299999999999999 110.311 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.0 -166.6 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.766 -0.652 . . . . 2.7999999999999998 111.215 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 12' ' ' TRP . . . -61.73 -32.67 72.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.921 0.711 . . . . 1.1799999999999999 112.921 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -80.36 2.12 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.599 0.238 . . . . 2.1400000000000001 111.614 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.2 127.38 41.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.029 0.442 . . . . 1.1499999999999999 112.011 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.38 116.63 14.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.74 -0.663 . . . . 2.1400000000000001 109.927 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 61' ' ' LEU . 14.2 tp -116.94 131.03 57.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.125 0.488 . . . . 1.1000000000000001 110.375 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' A' ' 17' ' ' ARG . 21.8 tp -111.36 137.17 49.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 1.1100000000000001 109.473 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.733 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 2.8 t80 -110.14 107.55 17.41 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.52000000000000002 108.805 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 t -144.5 150.08 46.29 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.453 -0.34 . . . . 1.1899999999999999 110.477 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.37 133.73 16.39 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.918 1.745 . . . . 1.4099999999999999 111.666 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.455 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 3.8 pt20 -89.32 11.46 18.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.058 0.456 . . . . 2.1099999999999999 110.625 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -54.62 21.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 5.5 109.936 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 67.23 124.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 124.108 0.88 . . . . 7.4199999999999999 112.284 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.27 -0.871 . . . . 8.6400000000000006 109.992 177.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.432 -0.667 . . . . 26.32 111.432 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 58.4 mt 60.23 79.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.546 0.689 . . . . 25.109999999999999 109.296 -173.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -116.8 134.48 22.94 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.538 -0.755 . . . . 23.260000000000002 110.718 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.51 -41.12 3.54 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.862 2.374 . . . . 22.710000000000001 111.511 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.16 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.826 -0.625 . . . . 19.989999999999998 109.747 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.522 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.3 m 74.21 140.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.021 0.825 . . . . 18.510000000000002 110.514 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HG2' HG23 ' A' ' 0' ' ' THR . 25.5 mmt 76.0 -0.97 3.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.258 0.623 . . . . 17.440000000000001 111.869 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.98 -76.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.282 -0.636 . . . . 15.1 109.282 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -117.69 -47.84 2.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.094 -1.076 . . . . 14.9 108.094 170.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 p -140.81 -79.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.51 -1.223 . . . . 12.44 108.733 173.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 0' ' ' THR . . . -125.04 -68.75 0.19 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.796 -0.922 . . . . 10.869999999999999 110.796 173.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -135.7 149.87 49.38 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.429 -0.582 . . . . 8.9800000000000004 109.429 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -92.43 116.52 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.856 0.36 . . . . 9.4700000000000006 110.083 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -127.58 152.57 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 6.1900000000000004 110.419 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 m -146.74 -25.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.874 0.369 . . . . 4.8399999999999999 111.264 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 21.6 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.443 0.64 . . . . 2.5099999999999998 110.601 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 20.3 t -166.06 115.95 0.99 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.719 -1.128 . . . . 1.54 108.369 177.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 5.0 p-90 -147.8 149.4 32.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.418 -0.81 . . . . 0.46000000000000002 110.658 -169.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER -83.78 124.67 31.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.413 0.625 . . . . 2.3999999999999999 110.379 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 84' ' ' ALA . 54.7 tp -119.48 119.55 34.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.306 -0.861 . . . . 1.3899999999999999 109.889 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -85.36 120.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.324 0.583 . . . . 1.5700000000000001 109.48 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.601 ' HB ' HD11 ' A' ' 46' ' ' LEU . 47.5 t -111.17 126.59 68.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.774 -0.648 . . . . 1.04 109.592 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -86.93 112.14 21.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.209 -0.451 . . . . 3.46 110.119 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG12 ' HE3' ' A' ' 50' ' ' MET . 61.7 t -85.45 115.56 27.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 1.1200000000000001 110.178 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.694 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.8 t70 -96.47 104.15 16.11 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.324 -0.621 . . . . 0.89000000000000001 109.324 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -76.51 90.28 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.575 -0.528 . . . . 1.3500000000000001 109.575 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.26 138.93 57.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 2.0800000000000001 110.257 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.1 t30 67.86 11.71 8.49 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.822 0.701 . . . . 4.6900000000000004 110.144 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.36 -149.03 10.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.123 -0.56 . . . . 3.21 112.076 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.99 -1.35 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.262 0.468 . . . . 6.1399999999999997 112.262 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -126.99 141.99 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.048 0.452 . . . . 4.4800000000000004 111.569 -175.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -110.87 106.86 16.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.87 -0.789 . . . . 1.76 108.87 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 m -88.42 124.82 34.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.159 -0.473 . . . . 1.21 110.766 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.11 120.94 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.366 0.603 . . . . 2.3399999999999999 109.592 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.558 HG21 ' HG ' ' A' ' 31' ' ' LEU . 50.0 mm -116.24 120.81 65.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.48 -0.782 . . . . 1.21 110.466 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -100.86 103.78 14.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 1.1699999999999999 110.218 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' HG ' HG21 ' A' ' 29' ' ' ILE . 82.6 mt -111.45 140.77 45.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.865 -0.607 . . . . 1.21 109.654 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 36.8 ttm180 -91.91 113.44 25.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.042 -0.725 . . . . 4.2800000000000002 109.042 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.29 149.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.244 -0.889 . . . . 1.1100000000000001 110.533 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 14.1 m -98.25 157.69 16.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.746 -0.661 . . . . 1.96 109.753 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -62.15 -25.53 66.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.888 -0.672 . . . . 0.76000000000000001 112.861 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.09 10.68 28.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.635 0.255 . . . . 2.21 111.518 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 77' ' ' LEU . 56.4 tp -89.48 124.5 34.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 1.0600000000000001 110.206 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.72 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.3 p-80 -80.34 150.85 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 0.57999999999999996 111.073 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.511 HG22 ' HB3' ' A' ' 70' ' ' LEU . 18.5 mm -50.27 -44.81 23.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.745 0.818 . . . . 1.1000000000000001 112.447 -175.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.71 -34.09 75.49 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.817 -0.706 . . . . 0.28999999999999998 112.587 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.03 61.61 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.343 -0.703 . . . . 0.37 111.343 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.98 -48.28 79.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.548 -0.538 . . . . 1.1000000000000001 109.548 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.705 ' HE2' ' HA ' ' A' ' 60' ' ' ALA . 59.8 mtp -55.93 -42.47 76.15 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.509 -0.768 . . . . 1.48 111.423 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.81 -42.08 95.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.972 -0.558 . . . . 1.6200000000000001 110.59 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.48 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.8700000000000001 111.455 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.601 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.1 mm? -59.37 -52.12 66.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.796 0.332 . . . . 1.54 110.434 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.69 -43.29 98.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 1.3 110.567 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -65.14 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 2.3599999999999999 111.319 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.486 ' HG2' HG22 ' A' ' 29' ' ' ILE . 7.6 tp60 -60.44 -50.27 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 1.9099999999999999 110.692 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HE3' HG12 ' A' ' 18' ' ' VAL . 62.5 mtm -72.84 -27.76 62.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.3799999999999999 110.124 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 54.01 74.37 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.945 -1.025 . . . . 2.3199999999999998 111.114 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -129.66 106.51 13.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 2.04 110.159 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.68 101.2 8.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 3.2400000000000002 110.129 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -160.12 172.38 17.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.897 -0.592 . . . . 4.1200000000000001 109.899 -177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.79 109.39 14.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.584 -0.524 . . . . 2.9500000000000002 109.584 172.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 80.4 m95 -87.83 9.88 20.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.997 -0.547 . . . . 2.1800000000000002 111.011 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 52.62 39.06 27.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.211 0.529 . . . . 2.7799999999999998 109.867 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.4 95.32 0.05 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.741 -1.118 . . . . 2.77 110.42 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 25.5 p90 -77.43 134.45 38.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.103 -0.953 . . . . 4.6200000000000001 110.22 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.705 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -140.68 159.91 41.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 1.28 110.892 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 HD21 ' A' ' 88' ' ' LEU . 11.8 tp -93.24 133.76 36.13 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.83 -0.623 . . . . 1.8100000000000001 109.752 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -113.34 122.7 48.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.083 -0.508 . . . . 0.65000000000000002 110.648 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.485 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -96.08 109.76 22.12 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.686 -0.857 . . . . 0.34999999999999998 108.686 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 2.3100000000000001 111.608 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.99 -4.94 38.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 1.6899999999999999 111.814 -172.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -123.47 -12.62 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.137 -0.32 . . . . 1.6000000000000001 110.137 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 51.04 65.73 1.39 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.598 -0.728 . . . . 4.0099999999999998 110.339 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -148.65 148.05 29.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.394 -0.821 . . . . 2.3799999999999999 110.404 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 84.8 m95 -96.77 126.58 42.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.66000000000000003 108.797 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 39' ' ' ILE . 4.0 mm? -70.87 103.48 2.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.249 0.547 . . . . 1.3300000000000001 110.033 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -109.91 4.07 21.18 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.623 -0.88 . . . . 1.3200000000000001 108.623 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 43.0 mmtm -86.96 56.37 3.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.566 -1.197 . . . . 2.4700000000000002 108.735 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.473 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 17.6 p -62.13 -25.99 68.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.549 -0.751 . . . . 1.26 112.166 -172.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -84.1 -16.07 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 3.7000000000000002 110.615 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.442 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.6 m0 -79.54 149.27 31.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.88 109.937 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.72 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.5 p -89.79 173.09 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.696 -0.229 . . . . 1.0700000000000001 110.503 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -57.53 -49.22 77.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.242 0.544 . . . . 1.26 110.05 176.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.36 -41.65 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.174 -0.921 . . . . 1.49 110.774 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 85.9 tttt -65.96 -41.52 91.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 2.2999999999999998 111.261 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.28 -40.33 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.447 -0.342 . . . . 1.6399999999999999 110.672 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.98 15.16 17.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.647 -0.787 . . . . 0.34999999999999998 112.42 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.75 121.3 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.305 0.574 . . . . 1.1299999999999999 110.564 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG3' ' H ' ' A' ' 85' ' ' ASP . 15.7 pt20 -112.68 -176.88 3.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 2.7999999999999998 110.36 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 1.1799999999999999 111.549 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' H ' ' HG3' ' A' ' 83' ' ' GLN . 5.0 m-20 -89.43 -14.11 36.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 2.1400000000000001 110.561 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.77 130.85 35.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.073 -0.512 . . . . 1.1499999999999999 111.04 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.7 110.63 6.38 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.601 -0.518 . . . . 2.1400000000000001 109.601 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.516 HD21 HD23 ' A' ' 61' ' ' LEU . 15.3 tp -113.0 129.48 56.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.703 -0.681 . . . . 1.1000000000000001 110.387 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.8 tp -112.72 148.0 35.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.737 -0.665 . . . . 1.1100000000000001 109.452 -178.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.633 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 54.1 t80 -126.72 110.78 13.51 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.734 -0.469 . . . . 0.52000000000000002 109.734 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.694 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.1 t -142.55 147.23 41.92 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.435 -0.348 . . . . 1.1899999999999999 111.016 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.566 ' HB3' ' O ' ' A' ' 56' ' ' TRP . 53.4 Cg_exo -54.58 127.89 27.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 1.4099999999999999 110.668 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.454 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 3.9 pt20 -72.49 -31.75 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.44 -0.504 . . . . 2.1099999999999999 110.661 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.0 p80 35.62 78.11 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.055 0.847 . . . . 5.5 111.72 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -51.65 115.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.016 -0.993 . . . . 7.4199999999999999 111.578 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.574 -0.727 . . . . 8.6400000000000006 110.24 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.852 -0.499 . . . . 26.32 111.852 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' -4' ' ' ILE . 3.9 mp -94.61 -46.71 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.325 -0.62 . . . . 25.109999999999999 109.325 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.5 131.01 22.03 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.438 -0.801 . . . . 23.260000000000002 109.649 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.73 109.42 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.005 2.47 . . . . 22.710000000000001 112.278 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.64 112.18 2.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.36 -0.836 . . . . 19.989999999999998 111.286 -174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 0' ' ' THR . 10.7 m 66.69 12.86 9.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.626 -0.716 . . . . 18.510000000000002 111.617 175.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm -123.54 99.32 6.25 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.663 -0.648 . . . . 17.440000000000001 110.983 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 64.86 10.01 5.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.822 -0.627 . . . . 15.1 111.47 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -135.13 94.46 3.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.949 -0.76 . . . . 14.9 108.949 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -99.8 -26.17 14.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 12.44 110.4 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.56 110.6 1.19 Allowed Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.587 -0.733 . . . . 10.869999999999999 111.27 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -91.61 -12.69 33.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.038 0.447 . . . . 8.9800000000000004 109.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.4 tp -100.29 96.85 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 9.4700000000000006 109.955 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 t -171.38 107.38 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.739 -0.664 . . . . 6.1900000000000004 110.231 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m -113.1 92.57 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.152 -0.476 . . . . 4.8399999999999999 110.186 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.08 80.77 0.12 Allowed 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.687 0.617 . . . . 2.5099999999999998 110.641 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -118.37 136.06 53.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.538 0.685 . . . . 1.54 111.007 -174.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.553 ' CH2' HD21 ' A' ' 77' ' ' LEU . 4.7 p-90 -144.34 156.15 44.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.747 -1.115 . . . . 0.46000000000000002 109.905 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.58 108.56 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.577 0.703 . . . . 2.3999999999999999 111.306 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 62.8 tp -91.84 125.65 36.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.362 -0.835 . . . . 1.3899999999999999 110.224 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 p -95.51 120.11 44.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.354 0.597 . . . . 1.5700000000000001 109.667 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.454 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.1 t -117.6 128.31 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.722 -0.672 . . . . 1.04 109.975 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.682 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 51.7 mtp180 -91.0 120.7 32.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.065 -0.516 . . . . 3.46 109.896 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG12 ' HE2' ' A' ' 50' ' ' MET . 46.9 t -87.75 121.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 120.921 0.391 . . . . 1.1200000000000001 111.05 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.738 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 16.9 t70 -97.28 106.24 18.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.668 . . . . 0.89000000000000001 109.376 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.35 111.8 14.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.143 -0.48 . . . . 1.3500000000000001 110.007 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 107.78 0.67 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 2.0800000000000001 110.506 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 65.11 84.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.013 0.821 . . . . 4.6900000000000004 109.955 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.32 159.25 14.58 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.655 -0.702 . . . . 3.21 111.605 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -97.94 166.75 11.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.449 0.166 . . . . 6.1399999999999997 111.185 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 64.36 100.29 0.04 OUTLIER 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.024 0.827 . . . . 4.4800000000000004 111.833 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -77.42 154.86 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.732 -0.84 . . . . 1.76 108.732 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -117.16 124.56 49.44 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.854 -0.338 . . . . 1.21 111.416 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.682 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.4 mp0 -98.42 107.76 20.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.822 -0.436 . . . . 2.3399999999999999 109.822 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.488 HG22 ' HG ' ' A' ' 31' ' ' LEU . 43.8 mm -105.88 132.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 1.21 111.22 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.9 m -107.96 111.18 23.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.977 0.417 . . . . 1.1699999999999999 110.22 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' HG ' HG22 ' A' ' 29' ' ' ILE . 97.4 mt -116.1 145.25 43.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.124 -0.489 . . . . 1.21 110.496 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -91.15 109.79 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.266 -0.642 . . . . 4.2800000000000002 109.266 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.37 164.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.545 -0.752 . . . . 1.1100000000000001 110.613 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -118.2 165.18 14.12 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.776 -0.453 . . . . 1.96 109.776 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.92 -25.12 74.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.675 -0.774 . . . . 0.76000000000000001 112.79 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -85.55 -2.37 58.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.977 0.417 . . . . 2.21 111.062 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 77' ' ' LEU . 60.9 tp -76.32 127.54 33.07 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.069 -0.715 . . . . 1.0600000000000001 109.069 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.885 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 16.8 p-80 -86.01 155.47 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.658 -0.417 . . . . 0.57999999999999996 110.752 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.768 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.4 mm -50.86 -42.78 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.689 -0.687 . . . . 1.1000000000000001 112.637 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.628 ' HA2' ' HE1' ' A' ' 43' ' ' MET . . . -56.11 -37.08 70.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.155 -0.545 . . . . 0.28999999999999998 113.043 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.61 -35.64 67.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.924 -0.655 . . . . 0.37 111.846 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG23 HD13 ' A' ' 77' ' ' LEU . 40.8 t -64.42 -47.27 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.713 0.292 . . . . 1.1000000000000001 110.218 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.628 ' HE1' ' HA2' ' A' ' 40' ' ' GLY . 31.6 mtm -59.81 -37.73 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 1.48 110.741 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.2 tp -64.13 -45.31 89.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 1.6200000000000001 110.498 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -64.15 -32.05 73.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 1.8700000000000001 111.339 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -58.3 -45.05 88.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.007 0.432 . . . . 1.54 110.418 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.37 -43.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 1.3 110.522 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.1 mt-10 -61.7 -35.9 79.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.287 -0.415 . . . . 2.3599999999999999 111.128 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 24.6 tp60 -61.36 -45.16 95.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.87 -0.604 . . . . 1.9099999999999999 111.396 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.589 ' HB3' HG13 ' A' ' 52' ' ' ILE . 60.7 mtm -86.1 -46.94 9.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.3799999999999999 111.208 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 56.77 41.93 27.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.503 0.668 . . . . 2.3199999999999998 110.433 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.589 HG13 ' HB3' ' A' ' 50' ' ' MET . 65.0 mt -88.01 142.45 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.681 . . . . 2.04 110.219 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 71.87 8.12 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.239 0.542 . . . . 3.2400000000000002 111.202 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -141.76 144.42 33.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.787 -0.642 . . . . 4.1200000000000001 109.28 176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.34 121.7 27.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.302 0.572 . . . . 2.9500000000000002 111.743 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.695 ' HE3' ' HG3' ' A' ' 92' ' ' PRO . 48.8 m95 -93.2 -36.54 12.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.287 -0.87 . . . . 2.1800000000000002 108.95 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t 62.99 -81.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.887 -1.051 . . . . 2.7799999999999998 110.758 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' ' 94' ' ' HIS . 3.6 m-20 -109.56 79.05 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.386 -0.598 . . . . 2.77 109.386 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.646 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 36.6 p90 -76.66 132.22 39.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.826 -0.624 . . . . 4.6200000000000001 110.232 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HA ' ' SD ' ' A' ' 43' ' ' MET . . . -145.16 157.83 43.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 1.28 111.06 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD23 HD21 ' A' ' 88' ' ' LEU . 10.2 tp -95.57 138.91 32.58 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.577 -0.527 . . . . 1.8100000000000001 109.577 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -122.27 119.59 31.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.993 0.425 . . . . 0.65000000000000002 110.385 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.426 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.3 t90 -83.96 111.02 18.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.728 -0.841 . . . . 0.34999999999999998 108.728 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.44 -42.84 87.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 2.3100000000000001 111.517 -175.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 91.0 mt-30 -63.14 -27.44 69.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 1.6899999999999999 111.449 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.51 -9.26 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.233 -0.439 . . . . 1.6000000000000001 111.311 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 38.31 72.77 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.028 0.918 . . . . 4.0099999999999998 110.776 -168.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -150.49 149.57 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.876 -1.057 . . . . 2.3799999999999999 110.262 -171.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -95.17 126.2 40.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.162 -0.681 . . . . 0.66000000000000003 109.162 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 mm? -77.78 103.26 7.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.134 0.492 . . . . 1.3300000000000001 109.752 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -105.05 -8.72 18.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.885 -0.783 . . . . 1.3200000000000001 108.885 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -79.24 52.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.712 -1.131 . . . . 2.4700000000000002 109.175 173.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.768 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 32.7 p -66.05 -22.24 66.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 1.26 111.465 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -86.45 -10.57 53.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 3.7000000000000002 110.6 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.445 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 12.9 m0 -86.88 149.13 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.88 109.779 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.885 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 77.7 p -85.5 166.7 16.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.393 -0.367 . . . . 1.0700000000000001 111.103 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD13 HG23 ' A' ' 42' ' ' VAL . 5.0 mp -57.48 -44.15 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.639 . . . . 1.26 110.923 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.94 -34.26 71.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.086 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 21.2 tptm -70.78 -33.01 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 2.2999999999999998 110.572 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.2 m -77.28 -38.98 49.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 1.6399999999999999 110.391 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.91 15.37 24.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.745 -0.74 . . . . 0.34999999999999998 112.704 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.02 128.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.777 0.323 . . . . 1.1299999999999999 110.337 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -122.01 -168.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 2.7999999999999998 110.518 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.06 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.394 0.516 . . . . 1.1799999999999999 112.394 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.36 -8.22 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.923 0.392 . . . . 2.1400000000000001 110.58 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -83.21 125.63 31.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.43 . . . . 1.1499999999999999 110.753 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -68.89 109.67 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.197 -0.668 . . . . 2.1400000000000001 109.197 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.517 HD21 HD23 ' A' ' 61' ' ' LEU . 20.9 tp -119.08 137.58 53.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 1.1000000000000001 110.625 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 17' ' ' ARG . 15.6 tp -117.62 151.92 36.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.756 -0.657 . . . . 1.1100000000000001 109.527 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.646 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.8 t80 -124.9 111.57 15.61 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.561 -0.533 . . . . 0.52000000000000002 109.561 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.738 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -141.17 140.13 20.46 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.44 -0.346 . . . . 1.1899999999999999 110.699 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.695 ' HG3' ' HE3' ' A' ' 56' ' ' TRP . 22.8 Cg_exo -63.94 126.17 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.537 2.158 . . . . 1.4099999999999999 111.748 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 -2.98 45.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.046 0.451 . . . . 2.1099999999999999 110.214 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.601 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . 33.8 t-80 -82.04 51.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.67 0.748 . . . . 5.5 110.118 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.46 29.28 3.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.809 0.814 . . . . 7.4199999999999999 108.839 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.379 -1.282 . . . . 8.6400000000000006 109.948 -176.037 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.841 -0.504 . . . . 26.32 111.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.03 -43.27 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.295 0.569 . . . . 25.109999999999999 109.528 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -100.17 112.65 64.5 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.402 -0.817 . . . . 23.260000000000002 109.833 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.0 -51.44 7.84 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.507 2.138 . . . . 22.710000000000001 111.462 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -169.11 122.51 0.8 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 19.989999999999998 110.135 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 42.4 m -75.98 104.35 6.47 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.495 -0.557 . . . . 18.510000000000002 109.495 175.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp -94.87 114.72 26.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 17.440000000000001 111.341 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -138.91 -34.72 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.836 -0.802 . . . . 15.1 108.836 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m 68.28 23.85 7.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.224 -0.898 . . . . 14.9 111.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -150.87 73.07 1.1 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.505 0.669 . . . . 12.44 109.567 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.91 5.84 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.449 -0.796 . . . . 10.869999999999999 111.751 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.46 -47.16 6.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 8.9800000000000004 110.235 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -108.18 82.8 1.68 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 9.4700000000000006 110.132 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -100.56 -7.59 23.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.879 -0.6 . . . . 6.1900000000000004 109.797 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -59.18 113.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.466 -0.788 . . . . 4.8399999999999999 110.372 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.13 65.01 1.26 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.984 -0.553 . . . . 2.5099999999999998 110.562 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.495 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 22.0 t -118.99 132.7 56.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.744 -0.662 . . . . 1.54 110.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.605 ' CH2' HD21 ' A' ' 77' ' ' LEU . 1.4 p-90 -137.57 156.62 47.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.391 -0.822 . . . . 0.46000000000000002 110.272 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.72 112.36 20.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.976 0.417 . . . . 2.3999999999999999 110.459 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.4 tp -102.83 129.6 49.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 1.3899999999999999 110.299 -178.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 120.08 49.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.21 0.529 . . . . 1.5700000000000001 110.19 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HB ' HD12 ' A' ' 46' ' ' LEU . 83.4 t -112.27 123.75 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.601 . . . . 1.04 110.014 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.536 ' O ' HD13 ' A' ' 89' ' ' LEU . 78.3 mtp180 -88.19 111.24 21.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.077 -0.511 . . . . 3.46 109.901 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 HG13 ' HE2' ' A' ' 50' ' ' MET . 39.0 t -86.09 124.02 39.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.067 0.46 . . . . 1.1200000000000001 110.946 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' HB2' HD12 ' A' ' 89' ' ' LEU . 23.7 t70 -96.55 101.21 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.89000000000000001 109.406 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -79.9 98.41 7.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.63 -0.713 . . . . 1.3500000000000001 109.626 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.14 70.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 2.0800000000000001 111.499 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -96.85 -11.96 24.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 4.6900000000000004 110.673 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 -156.26 28.86 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.475 -0.65 . . . . 3.21 111.475 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.58 -49.78 0.66 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.993 0.396 . . . . 6.1399999999999997 110.937 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -69.96 115.18 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.825 -0.625 . . . . 4.4800000000000004 111.114 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -74.26 110.67 8.74 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.823 -0.626 . . . . 1.76 109.905 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -89.52 120.68 31.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 1.21 110.663 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.5 106.99 19.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.526 0.679 . . . . 2.3399999999999999 109.516 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 HG21 ' HG ' ' A' ' 31' ' ' LEU . 41.1 mm -100.13 129.69 50.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.514 -0.766 . . . . 1.21 110.958 -175.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.4 m -102.19 109.96 21.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.009 -0.541 . . . . 1.1699999999999999 109.842 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HG ' HG21 ' A' ' 29' ' ' ILE . 79.9 mt -113.61 139.12 49.28 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.853 -0.612 . . . . 1.21 109.956 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -92.23 108.85 20.26 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.756 -0.831 . . . . 4.2800000000000002 108.756 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.89 163.44 25.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.536 -0.756 . . . . 1.1100000000000001 110.981 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.495 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 4.6 p -104.33 156.65 17.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.236 -0.438 . . . . 1.96 109.957 177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.67 -27.26 72.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.831 -0.699 . . . . 0.76000000000000001 112.282 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.79 10.1 22.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.094 0.473 . . . . 2.21 111.098 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' HD11 ' A' ' 77' ' ' LEU . 60.7 tp -82.52 131.04 35.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.623 -0.51 . . . . 1.0600000000000001 109.623 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 46.4 p-80 -75.64 146.91 39.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.57999999999999996 110.754 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.718 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 17.0 mm -53.77 -37.49 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.924 -0.58 . . . . 1.1000000000000001 112.051 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -27.74 65.09 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.006 -0.616 . . . . 0.28999999999999998 112.812 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.93 -37.48 38.54 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.929 -0.653 . . . . 0.37 111.498 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 HD12 ' A' ' 77' ' ' LEU . 47.6 t -63.85 -44.23 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 110.013 -0.365 . . . . 1.1000000000000001 110.013 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.67 ' HE2' ' HA ' ' A' ' 60' ' ' ALA . 47.5 ttm -52.54 -41.4 63.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.743 -0.662 . . . . 1.48 110.937 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 57.9 tp -68.88 -42.5 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 1.6200000000000001 110.877 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.82 -33.4 75.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.8700000000000001 112.043 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 16' ' ' VAL . 3.7 mm? -59.71 -44.21 93.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.441 . . . . 1.54 110.168 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.31 -37.02 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 1.3 110.684 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 50.8 mt-10 -70.11 -46.6 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.209 -0.45 . . . . 2.3599999999999999 111.368 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 29' ' ' ILE . 6.3 tp-100 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.468 -0.333 . . . . 1.9099999999999999 111.198 -176.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.406 ' HE2' HG13 ' A' ' 18' ' ' VAL . 70.8 mtm -72.57 -28.22 62.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.918 -0.401 . . . . 1.3799999999999999 109.918 177.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 t30 55.67 70.24 0.65 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.121 -0.945 . . . . 2.3199999999999998 110.965 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.426 ' HB ' ' HZ2' ' A' ' 56' ' ' TRP . 56.2 mt -130.67 102.03 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.488 -0.778 . . . . 2.04 110.021 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.44 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.042 0.449 . . . . 3.2400000000000002 110.457 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.51 174.98 10.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.809 -0.632 . . . . 4.1200000000000001 110.307 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.25 98.3 10.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.996 -0.742 . . . . 2.9500000000000002 108.996 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.426 ' HZ2' ' HB ' ' A' ' 52' ' ' ILE . 90.2 m95 -90.14 -14.49 33.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.919 -0.582 . . . . 2.1800000000000002 110.443 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m 60.63 -137.29 0.62 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.902 -0.59 . . . . 2.7799999999999998 109.844 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -74.36 -59.77 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.708 -0.397 . . . . 2.77 110.004 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 65.57 166.96 0.19 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.834 0.708 . . . . 4.6200000000000001 110.644 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.67 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -174.19 174.26 2.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.043 0.449 . . . . 1.28 111.95 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.6 mm? -95.5 137.12 35.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.511 -0.768 . . . . 1.8100000000000001 110.168 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -108.45 114.68 28.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.997 -0.547 . . . . 0.65000000000000002 109.548 174.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -85.39 110.69 19.31 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.612 -0.884 . . . . 0.34999999999999998 108.612 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.3 -55.14 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 2.3100000000000001 111.626 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.15 -39.12 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.329 0.492 . . . . 1.6899999999999999 112.329 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -87.71 -13.07 43.46 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.747 0.277 . . . . 1.6000000000000001 111.747 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 54.37 64.99 1.63 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.138 0.494 . . . . 4.0099999999999998 110.208 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -144.96 145.89 31.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 2.3799999999999999 110.988 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -98.43 122.69 41.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.66000000000000003 109.11 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 mm? -77.79 101.19 6.59 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.185 -0.606 . . . . 1.3300000000000001 109.381 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.0 -5.03 11.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.186 -0.915 . . . . 1.3200000000000001 109.034 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.575 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -84.5 66.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.812 -1.086 . . . . 2.4700000000000002 108.17 174.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.718 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 10.5 p -74.03 -14.25 60.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.235 -0.893 . . . . 1.26 111.98 -172.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -82.85 -21.4 34.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.972 0.415 . . . . 3.7000000000000002 109.952 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.44 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.9 m0 -75.67 154.05 36.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.575 -0.739 . . . . 0.88 109.667 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.3 p -93.87 168.85 10.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.377 -0.374 . . . . 1.0700000000000001 110.841 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 42' ' ' VAL . 5.7 mp -55.62 -49.92 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 1.26 110.964 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.09 -33.74 75.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.63 . . . . 1.49 110.619 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.7 tptt -66.84 -39.71 87.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 2.2999999999999998 110.688 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.3 m -74.57 -34.58 62.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 1.6399999999999999 110.712 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.15 2.22 35.92 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.741 -0.742 . . . . 0.34999999999999998 112.913 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.55 128.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.977 0.418 . . . . 1.1299999999999999 110.581 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -123.9 -172.98 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 2.7999999999999998 110.657 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.3 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.64 0.607 . . . . 1.1799999999999999 112.64 -171.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -97.85 6.93 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.886 0.374 . . . . 2.1400000000000001 111.305 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.1 129.66 42.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.35 . . . . 1.1499999999999999 110.588 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -70.22 100.64 1.72 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.875 -0.417 . . . . 2.1400000000000001 109.875 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.572 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.2 tp -109.09 124.69 51.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 1.1000000000000001 110.533 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 17' ' ' ARG . 32.2 tp -104.36 136.27 44.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.72 -0.673 . . . . 1.1100000000000001 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 6.0 t80 -107.06 108.08 19.39 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.802 -0.814 . . . . 0.52000000000000002 108.802 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.438 ' OG1' ' HD2' ' A' ' 92' ' ' PRO . 9.6 t -142.41 149.54 51.53 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.874 -0.417 . . . . 1.1899999999999999 109.874 -174.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 36.0 Cg_endo -66.2 133.06 31.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.268 1.978 . . . . 1.4099999999999999 111.722 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.61 77.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.701 0.763 . . . . 2.1099999999999999 110.42 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -80.14 -34.02 38.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.729 -1.123 . . . . 5.5 109.996 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -121.97 78.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.885 -0.598 . . . . 7.4199999999999999 110.198 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.492 -0.766 . . . . 8.6400000000000006 109.982 177.8 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.752 -0.539 . . . . 26.32 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 44.4 mt -80.16 80.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.318 -0.623 . . . . 25.109999999999999 109.318 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.571 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 29.2 m-20 -108.3 -56.11 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 23.260000000000002 111.229 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 73.8 Cg_endo -76.51 100.99 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.745 1.63 . . . . 22.710000000000001 112.174 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -100.55 106.17 17.66 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.274 -0.639 . . . . 19.989999999999998 109.274 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 8.7 m -57.28 117.48 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 18.510000000000002 111.035 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.55 135.12 54.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 17.440000000000001 110.243 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.8 mm? -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 15.1 110.14 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -83.43 107.55 16.0 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.052 -0.522 . . . . 14.9 109.684 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 71.51 -66.6 0.29 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.873 0.733 . . . . 12.44 109.727 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.29 58.1 16.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.429 -0.415 . . . . 10.869999999999999 112.741 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -110.21 25.6 11.61 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.108 -0.237 . . . . 8.9800000000000004 111.088 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD22 ' H ' ' A' ' 7' ' ' LEU . 2.5 pt? -63.33 131.0 46.87 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.874 -0.787 . . . . 9.4700000000000006 108.874 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.432 ' HG1' ' CB ' ' A' ' 34' ' ' SER . 6.3 t -161.05 138.0 8.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.273 0.559 . . . . 6.1900000000000004 112.157 -173.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.6 -35.12 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.642 -0.708 . . . . 4.8399999999999999 109.317 170.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.89 118.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.081 -0.963 . . . . 2.5099999999999998 109.762 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 m -94.62 133.9 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 1.54 110.311 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.529 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 5.6 p-90 -145.4 150.27 36.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.737 -0.665 . . . . 0.46000000000000002 110.598 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -75.73 124.68 27.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 2.3999999999999999 110.617 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.7 tp -120.01 121.73 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.962 -0.563 . . . . 1.3899999999999999 110.137 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.72 119.57 38.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.275 0.56 . . . . 1.5700000000000001 110.004 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' HB ' HD22 ' A' ' 46' ' ' LEU . 44.4 t -115.1 127.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.675 -0.693 . . . . 1.04 109.377 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.67 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.9 mtt180 -93.59 111.7 23.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.345 -0.389 . . . . 3.46 110.101 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.451 HG11 ' HE1' ' A' ' 50' ' ' MET . 42.2 t -86.43 115.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.654 -0.498 . . . . 1.1200000000000001 109.654 177.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' HB2' HD11 ' A' ' 89' ' ' LEU . 11.7 t70 -95.85 100.78 12.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.165 -0.68 . . . . 0.89000000000000001 109.165 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.788 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 46.8 m-70 -82.56 97.9 8.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.798 -0.637 . . . . 1.3500000000000001 109.585 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.06 62.08 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.0800000000000001 110.993 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.407 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 76.3 m-20 -132.62 -88.86 0.43 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.55 -0.75 . . . . 4.6900000000000004 109.128 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 22' ' ' ASN . . . -146.29 25.88 1.71 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.635 -1.386 . . . . 3.21 109.635 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.788 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 23.8 mt-10 -113.17 -171.1 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.684 -0.758 . . . . 6.1399999999999997 110.208 -173.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -119.23 -175.51 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.438 -0.346 . . . . 4.4800000000000004 110.214 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -77.96 107.21 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.99 0.424 . . . . 1.76 110.342 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -78.69 120.77 23.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 1.21 109.951 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.67 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 50.8 mt-10 -97.31 106.16 18.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.671 -0.492 . . . . 2.3399999999999999 109.671 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -107.74 126.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.682 -0.69 . . . . 1.21 110.617 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 m -91.38 114.05 26.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 1.1699999999999999 109.35 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -108.49 145.48 34.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.12 -0.491 . . . . 1.21 110.581 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -91.79 108.08 19.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.074 -1.084 . . . . 4.2800000000000002 108.074 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -131.29 166.02 29.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.933 -0.576 . . . . 1.1100000000000001 111.105 -172.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' CB ' ' HG1' ' A' ' 8' ' ' THR . 19.9 m -140.75 162.39 35.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.61 -0.723 . . . . 1.96 109.775 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -59.79 -25.12 61.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.821 -0.704 . . . . 0.76000000000000001 112.702 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -76.65 -11.68 59.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.689 0.28 . . . . 2.21 111.384 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.9 tp -80.86 135.51 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.824 -0.435 . . . . 1.0600000000000001 109.824 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.737 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.3 p-80 -87.03 150.16 24.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.167 -0.47 . . . . 0.57999999999999996 110.398 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 70' ' ' LEU . 20.5 mm -52.43 -39.04 27.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 C-N-CA 123.014 0.526 . . . . 1.1000000000000001 112.234 -176.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.34 -30.76 68.41 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.015 -0.612 . . . . 0.28999999999999998 112.418 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.67 -29.42 52.29 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.917 -0.658 . . . . 0.37 111.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 77' ' ' LEU . 38.4 t -66.91 -48.06 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.355 . . . . 1.1000000000000001 110.148 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.624 ' HA ' HD12 ' A' ' 46' ' ' LEU . 56.7 mtm -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 1.48 110.435 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.83 -47.66 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.6200000000000001 109.965 175.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.748 ' HA ' ' HG2' ' A' ' 48' ' ' GLU . 40.2 mttp -62.66 -33.78 75.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 1.8700000000000001 111.346 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 43' ' ' MET . 45.4 mt -60.38 -49.27 78.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 1.54 110.775 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.78 -43.51 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 1.3 111.359 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 45' ' ' LYS . 8.3 pt-20 -72.2 -30.48 64.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.184 -0.206 . . . . 2.3599999999999999 111.43 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.02 -53.96 21.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.833 0.349 . . . . 1.9099999999999999 110.48 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.492 ' HB3' HG13 ' A' ' 52' ' ' ILE . 72.1 mtm -65.42 -48.02 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.3799999999999999 110.083 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 53.23 58.65 5.06 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.655 -0.702 . . . . 2.3199999999999998 110.375 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.492 HG13 ' HB3' ' A' ' 50' ' ' MET . 64.9 mt -100.25 139.46 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.715 . . . . 2.04 110.552 -175.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.99 72.08 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.525 . . . . 3.2400000000000002 110.877 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -144.74 153.73 41.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.734 -0.666 . . . . 4.1200000000000001 109.531 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.66 113.18 20.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.246 0.546 . . . . 2.9500000000000002 111.395 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.505 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 96.7 m95 -82.88 72.59 9.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.44 -0.8 . . . . 2.1800000000000002 109.68 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.2 m -55.45 -63.91 1.02 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.152 -0.931 . . . . 2.7799999999999998 111.484 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.49 136.78 36.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.106 -0.702 . . . . 2.77 109.106 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.718 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 34.0 p90 -156.32 147.77 22.58 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.414 -0.812 . . . . 4.6200000000000001 110.331 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.7 163.2 39.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.027 0.441 . . . . 1.28 110.827 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 88' ' ' LEU . 16.4 tp -90.13 133.2 35.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.988 -0.551 . . . . 1.8100000000000001 109.997 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -117.36 112.81 21.22 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.604 -0.726 . . . . 0.65000000000000002 110.378 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.526 ' HB3' ' HG ' ' A' ' 68' ' ' CYS . 4.5 t90 -83.15 109.0 16.8 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.842 -1.17 . . . . 0.34999999999999998 107.842 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -75.71 -37.46 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.256 . . . . 2.3100000000000001 110.43 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 15.7 mm-40 -56.21 -38.47 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 1.6899999999999999 111.409 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -102.37 -15.85 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 1.6000000000000001 111.472 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 57.99 76.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.047 -0.524 . . . . 4.0099999999999998 110.393 -171.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HG ' ' HB3' ' A' ' 63' ' ' TRP . 25.0 p -163.08 148.68 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.757 -0.656 . . . . 2.3799999999999999 110.376 -175.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -96.37 139.27 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.245 -0.65 . . . . 0.66000000000000003 109.245 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.524 HD22 ' HB2' ' A' ' 63' ' ' TRP . 3.1 mm? -95.89 103.57 15.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.551 -0.537 . . . . 1.3300000000000001 109.551 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.56 -7.1 15.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.392 0.615 . . . . 1.3200000000000001 109.994 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.647 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.86 72.55 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.906 0.86 . . . . 2.4700000000000002 109.303 173.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.444 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 33.0 p -66.17 -22.25 66.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 1.26 111.968 -174.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -87.42 -5.88 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 3.7000000000000002 110.961 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -84.25 144.76 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.723 -0.473 . . . . 0.88 109.723 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 72.9 p -89.76 166.26 13.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.431 -0.349 . . . . 1.0700000000000001 110.902 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 42' ' ' VAL . 7.2 mp -60.74 -34.0 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.463 . . . . 1.26 110.496 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.3 -38.35 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.49 110.244 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -73.17 -36.88 66.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.665 . . . . 2.2999999999999998 111.048 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' HB2' HG11 ' A' ' 82' ' ' VAL . 67.4 m -79.8 -34.2 39.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.518 -0.31 . . . . 1.6399999999999999 111.399 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.03 14.2 52.5 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 0.34999999999999998 112.507 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 HG21 ' CB ' ' A' ' 86' ' ' ALA . 1.3 p -91.88 122.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 1.1299999999999999 110.213 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.529 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 81.0 mt-30 -129.61 -162.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 2.7999999999999998 111.317 -177.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -23.31 67.26 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 112.934 0.716 . . . . 1.1799999999999999 112.934 -172.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.58 1.94 56.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.928 0.394 . . . . 2.1400000000000001 111.709 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . -81.84 109.92 16.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.328 -0.396 . . . . 1.1499999999999999 110.528 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.66 106.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.538 -0.912 . . . . 2.1400000000000001 108.538 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 HD23 HD22 ' A' ' 61' ' ' LEU . 13.9 tp -115.48 123.15 47.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 1.1000000000000001 110.985 -169.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 19' ' ' ASP . 24.4 tp -112.33 140.04 47.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.779 . . . . 1.1100000000000001 109.336 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.415 ' HZ ' ' CD2' ' A' ' 59' ' ' TYR . 17.6 t80 -116.73 110.07 17.96 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.121 -0.696 . . . . 0.52000000000000002 109.121 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -141.97 151.29 58.87 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.23 -0.441 . . . . 1.1899999999999999 111.401 -171.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.718 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 9.4 Cg_endo -54.84 136.65 72.88 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.43 2.087 . . . . 1.4099999999999999 110.476 169.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -86.17 -53.16 5.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.562 -0.29 . . . . 2.1099999999999999 111.509 -172.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 92' ' ' PRO . 49.2 m80 57.69 -173.33 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.998 0.428 . . . . 5.5 111.354 -175.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 17.0 tppt? 59.33 40.16 21.46 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.502 0.668 . . . . 7.4199999999999999 111.533 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.777 -0.63 . . . . 8.6400000000000006 110.392 175.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.298 -0.721 . . . . 26.32 111.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . 0.521 HG23 HD11 ' A' ' 2' ' ' LEU . 4.5 tp -98.27 99.51 8.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.733 0.778 . . . . 25.109999999999999 110.867 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -148.79 104.93 3.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.307 -0.861 . . . . 23.260000000000002 109.685 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.22 -41.21 16.94 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.597 2.198 . . . . 22.710000000000001 112.223 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' A' ' 0' ' ' THR . 64.9 t80 -153.96 -48.83 0.09 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.792 -0.64 . . . . 19.989999999999998 109.451 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' THR . . . . . 0.507 HG22 ' HD2' ' A' ' -1' ' ' PHE . 19.8 p -110.38 178.6 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.215 -0.902 . . . . 18.510000000000002 110.494 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt -81.33 164.59 22.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 17.440000000000001 110.767 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.521 HD11 HG23 ' A' ' -4' ' ' ILE . 94.2 mt -87.26 173.56 9.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.138 -0.483 . . . . 15.1 110.331 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -88.24 95.63 10.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.05 0.453 . . . . 14.9 110.843 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -134.27 152.04 51.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.644 -0.707 . . . . 12.44 109.762 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.59 70.16 0.85 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.952 -0.642 . . . . 10.869999999999999 112.684 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.61 -72.08 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.237 -0.282 . . . . 8.9800000000000004 110.237 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.645 ' H ' HD21 ' A' ' 7' ' ' LEU . 2.1 pt? -86.58 -28.98 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 9.4700000000000006 109.623 177.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.703 HG23 ' HB2' ' A' ' 11' ' ' SER . 17.2 m -113.9 85.45 2.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.765 -0.652 . . . . 6.1900000000000004 110.222 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -103.79 -37.49 7.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.782 -0.644 . . . . 4.8399999999999999 109.574 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.63 62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.199 -0.91 . . . . 2.5099999999999998 109.221 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.703 ' HB2' HG23 ' A' ' 8' ' ' THR . 65.3 m -138.89 150.39 45.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 1.54 110.494 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.525 ' CH2' HD22 ' A' ' 77' ' ' LEU . 1.9 p-90 -148.1 167.07 25.96 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.387 -0.824 . . . . 0.46000000000000002 109.73 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.51 127.2 40.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.434 0.635 . . . . 2.3999999999999999 110.849 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.6 tp -117.93 115.37 24.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.321 -0.854 . . . . 1.3899999999999999 109.576 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.7 p -84.4 119.31 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.528 0.68 . . . . 1.5700000000000001 109.755 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.92 115.89 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.515 -0.766 . . . . 1.04 109.38 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.599 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 80.6 mtp180 -83.58 110.03 17.9 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.82 -0.808 . . . . 3.46 108.82 177.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG13 ' HE1' ' A' ' 50' ' ' MET . 16.7 t -87.99 117.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.025 0.441 . . . . 1.1200000000000001 109.98 -178.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.73 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 18.6 t70 -96.42 113.1 24.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.655 -0.702 . . . . 0.89000000000000001 109.325 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.693 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 33.3 m-70 -98.18 91.59 5.33 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.805 -0.634 . . . . 1.3500000000000001 110.164 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.19 3.21 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.023 -0.535 . . . . 2.0800000000000001 111.195 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.47 19.09 8.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.233 -0.44 . . . . 4.6900000000000004 111.089 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.99 39.93 4.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.631 -0.795 . . . . 3.21 112.502 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.693 ' HB2' ' CB ' ' A' ' 20' ' ' HIS . 31.5 mt-10 -134.74 -169.32 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.659 -0.497 . . . . 6.1399999999999997 109.659 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -107.88 163.11 13.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.277 -0.268 . . . . 4.4800000000000004 110.277 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -76.72 140.33 40.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.844 0.354 . . . . 1.76 110.601 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -118.33 125.62 50.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.08 -0.509 . . . . 1.21 110.657 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.599 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 51.5 mt-10 -98.76 104.98 17.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.868 0.366 . . . . 2.3399999999999999 110.086 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -109.6 124.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 1.21 110.214 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 9.4 m -97.35 103.82 15.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.744 -0.465 . . . . 1.1699999999999999 109.744 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 46' ' ' LEU . 93.9 mt -93.12 136.43 33.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.017 -0.538 . . . . 1.21 110.907 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -92.54 106.32 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.597 -1.26 . . . . 4.2800000000000002 107.597 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -131.47 156.11 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.238 0.542 . . . . 1.1100000000000001 112.275 -167.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 m -96.67 147.18 24.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.364 -0.834 . . . . 1.96 109.058 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.44 -21.48 64.6 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.621 -0.799 . . . . 0.76000000000000001 112.201 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.2 4.32 23.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.063 0.458 . . . . 2.21 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 77' ' ' LEU . 58.4 tp -86.98 135.31 33.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.141 -0.349 . . . . 1.0600000000000001 110.157 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.964 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -80.85 152.21 28.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.679 -0.237 . . . . 0.57999999999999996 111.012 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.786 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.6 mm -55.25 -43.62 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.905 -0.589 . . . . 1.1000000000000001 112.214 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.1 66.18 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.28999999999999998 112.268 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.59 -31.61 44.67 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.08 -0.808 . . . . 0.37 111.08 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.689 HG22 HD11 ' A' ' 77' ' ' LEU . 88.1 t -65.74 -44.9 93.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 1.1000000000000001 109.357 172.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.533 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 71.8 mtp -56.02 -42.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.495 -0.775 . . . . 1.48 110.87 176.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.29 -39.78 84.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 1.6200000000000001 110.499 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.31 -34.69 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 1.8700000000000001 111.195 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 HD21 HD13 ' A' ' 31' ' ' LEU . 1.8 mm? -63.05 -47.27 83.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.983 0.421 . . . . 1.54 110.143 175.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.8 -47.21 94.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 1.3 110.94 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.19 -27.06 63.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.477 -0.328 . . . . 2.3599999999999999 111.778 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.56 -54.21 9.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 1.9099999999999999 110.778 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.474 ' HE1' HG13 ' A' ' 18' ' ' VAL . 65.9 mtm -79.5 -31.5 42.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 1.3799999999999999 110.853 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 t30 55.58 58.05 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.709 . . . . 2.3199999999999998 110.366 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.434 HG23 ' HG2' ' A' ' 54' ' ' GLN . 67.1 mt -120.04 134.61 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 2.04 110.083 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.2 95.02 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 3.2400000000000002 111.271 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' HG2' HG23 ' A' ' 52' ' ' ILE . 16.7 mm-40 -133.87 177.46 7.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.01 -0.737 . . . . 4.1200000000000001 109.01 176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.9 92.04 7.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 2.9500000000000002 109.708 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -88.96 5.76 42.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.697 -0.683 . . . . 2.1800000000000002 109.944 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 m -69.95 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 2.7799999999999998 110.091 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -89.36 56.31 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.12 0.962 . . . . 2.77 109.276 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -125.22 146.25 49.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.197 . . . . 4.6200000000000001 108.153 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.68 168.19 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.592 -0.443 . . . . 1.28 111.798 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD11 ' HG ' ' A' ' 88' ' ' LEU . 3.1 mm? -86.99 132.51 33.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.749 . . . . 1.8100000000000001 110.302 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -101.91 115.0 29.58 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.67 -0.695 . . . . 0.65000000000000002 109.326 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 3.7 t90 -88.94 109.92 20.66 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.6 -0.889 . . . . 0.34999999999999998 108.6 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -67.84 -50.72 55.11 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.877 0.325 . . . . 2.3100000000000001 111.877 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.48 -38.83 78.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.215 0.45 . . . . 1.6899999999999999 112.215 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 63' ' ' TRP . 5.3 mptp? -91.01 -20.65 21.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.709 0.263 . . . . 1.6000000000000001 111.709 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 56.9 71.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.674 0.609 . . . . 4.0099999999999998 109.936 -171.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -156.49 147.05 21.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.493 -0.776 . . . . 2.3799999999999999 109.96 -175.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -98.68 130.67 45.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.617 -0.512 . . . . 0.66000000000000003 109.617 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.9 mm? -82.14 102.39 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.067 0.461 . . . . 1.3300000000000001 110.119 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 HD22 ' OE1' ' A' ' 93' ' ' GLN . 76.9 mt -111.98 -11.53 13.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.692 -0.855 . . . . 1.3200000000000001 108.692 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -78.86 57.25 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.572 -1.194 . . . . 2.4700000000000002 108.822 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.786 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 9.8 p -70.72 -20.27 62.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 1.26 111.798 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 3.7000000000000002 109.874 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 11.8 m0 -80.99 152.69 27.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 0.88 109.596 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.964 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.2 p -92.83 168.11 11.4 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.714 -0.221 . . . . 1.0700000000000001 111.147 -177.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.689 HD11 HG22 ' A' ' 42' ' ' VAL . 3.9 mp -54.77 -50.99 67.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 1.26 111.008 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.83 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.968 -0.56 . . . . 1.49 110.722 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 22.0 tptm -67.84 -39.67 83.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 2.2999999999999998 110.819 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.06 -29.99 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.861 0.362 . . . . 1.6399999999999999 110.845 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.54 17.69 27.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.704 -0.76 . . . . 0.34999999999999998 112.279 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 86' ' ' ALA . 1.8 p -104.05 125.09 58.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.539 . . . . 1.1299999999999999 110.329 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.436 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 27.3 mt-30 -128.57 -165.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 2.7999999999999998 110.232 -176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.38 67.86 1.05 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.547 0.689 . . . . 1.1799999999999999 110.248 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -158.7 -36.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 2.1400000000000001 109.977 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' HB3' HG22 ' A' ' 82' ' ' VAL . . . -76.31 150.52 36.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 1.1499999999999999 112.005 -174.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -97.96 104.36 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.316 -0.994 . . . . 2.1400000000000001 108.316 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.632 ' HG ' HD11 ' A' ' 61' ' ' LEU . 6.5 tp -105.11 115.69 30.69 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.719 -0.673 . . . . 1.1000000000000001 110.654 -171.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 19' ' ' ASP . 20.4 tp -101.89 129.48 48.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.57 -0.741 . . . . 1.1100000000000001 109.623 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 43' ' ' MET . 4.3 t80 -102.96 106.09 16.56 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.74 -0.837 . . . . 0.52000000000000002 108.74 178.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.73 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.75 151.59 53.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 1.1899999999999999 110.677 -172.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.455 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 37.1 Cg_endo -66.94 129.38 20.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.397 2.065 . . . . 1.4099999999999999 111.922 176.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.407 ' OE1' HD22 ' A' ' 71' ' ' LEU . 4.6 pt20 -97.77 8.68 44.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 2.1099999999999999 111.3 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -62.16 132.28 52.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.823 0.344 . . . . 5.5 110.758 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -96.7 100.65 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.135 -0.484 . . . . 7.4199999999999999 110.326 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.402 ' HG2' ' OXT' ' A' ' 96' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.474 -0.774 . . . . 8.6400000000000006 110.071 176.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.128 -0.789 . . . . 26.32 111.128 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 5.6 tp -91.95 76.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 122.402 1.096 . . . . 25.109999999999999 109.174 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -151.7 150.35 26.15 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.534 -1.212 . . . . 23.260000000000002 109.394 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.27 122.99 11.12 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.503 2.135 . . . . 22.710000000000001 111.33 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -59.01 113.36 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 19.989999999999998 110.745 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 30.1 m -83.85 -25.51 30.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.688 -0.687 . . . . 18.510000000000002 111.14 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm 61.79 80.69 0.21 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.055 -0.52 . . . . 17.440000000000001 110.38 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.718 ' H ' HD21 ' A' ' 2' ' ' LEU . 2.3 pt? -84.12 143.07 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.108 -0.497 . . . . 15.1 110.072 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m 72.46 146.89 0.08 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.954 0.784 . . . . 14.9 111.118 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -79.04 89.27 4.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 12.44 110.252 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.55 69.22 0.3 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.757 -0.735 . . . . 10.869999999999999 112.426 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -110.52 141.49 43.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 8.9800000000000004 110.133 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -132.65 9.6 4.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.594 -0.275 . . . . 9.4700000000000006 111.622 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -127.45 -25.15 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.225 -0.59 . . . . 6.1900000000000004 112.52 -174.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -105.73 -45.67 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.66 0.267 . . . . 4.8399999999999999 110.87 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.8 17.95 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.826 0.822 . . . . 2.5099999999999998 110.492 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -153.52 122.45 6.45 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.827 -1.079 . . . . 1.54 109.585 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.593 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.1 p-90 -148.84 159.37 44.23 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.23 -0.895 . . . . 0.46000000000000002 110.325 -170.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -96.23 127.24 42.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 2.3999999999999999 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -112.86 134.63 54.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.269 -0.878 . . . . 1.3899999999999999 110.078 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 5.9 p -97.95 120.6 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.195 0.521 . . . . 1.5700000000000001 110.318 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.6 t -114.66 128.84 71.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.204 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.987 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 91.0 mtt180 -90.77 119.03 30.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 3.46 109.882 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG13 ' HE2' ' A' ' 50' ' ' MET . 39.7 t -102.93 124.68 57.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.704 0.288 . . . . 1.1200000000000001 111.129 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -97.65 132.05 43.65 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.545 -0.909 . . . . 0.89000000000000001 108.545 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.65 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 82.8 m-70 -106.71 128.56 54.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.864 0.364 . . . . 1.3500000000000001 111.742 -171.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -68.6 96.0 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.085 -0.961 . . . . 2.0800000000000001 110.972 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 11.7 t30 169.7 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.977 -1.011 . . . . 4.6900000000000004 109.175 -178.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.15 29.53 1.34 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.204 -0.907 . . . . 3.21 111.667 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.65 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 24.1 mm-40 -91.36 -176.45 4.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.58 0.229 . . . . 6.1399999999999997 110.501 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.34 -174.65 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.075 0.464 . . . . 4.4800000000000004 111.391 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -84.82 101.6 12.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.485 -0.78 . . . . 1.76 110.914 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -78.45 111.33 14.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.23 -0.655 . . . . 1.21 109.23 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.987 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.7 mt-10 -99.33 102.1 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.453 0.644 . . . . 2.3399999999999999 110.473 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 15' ' ' VAL . 39.3 mm -96.29 140.31 17.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.026 -0.988 . . . . 1.21 111.241 -174.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -103.38 108.41 19.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 1.1699999999999999 109.787 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.3 mt -108.46 138.36 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.811 0.339 . . . . 1.21 111.192 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -92.72 110.52 21.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.973 -0.751 . . . . 4.2800000000000002 108.973 175.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.63 164.29 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.709 -0.678 . . . . 1.1100000000000001 111.327 -171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 p -115.42 159.29 21.32 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.208 -0.664 . . . . 1.96 109.208 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.27 -25.92 68.86 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.751 -0.738 . . . . 0.76000000000000001 112.928 -177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.09 7.31 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.68 0.276 . . . . 2.21 111.598 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 tp -83.99 123.49 30.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.649 -0.5 . . . . 1.0600000000000001 109.649 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.874 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 34.3 p-80 -78.32 151.73 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.441 -0.345 . . . . 0.57999999999999996 110.798 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.505 HD13 HD12 ' A' ' 70' ' ' LEU . 26.5 mm -50.3 -40.73 18.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.528 -0.76 . . . . 1.1000000000000001 113.027 -173.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.44 -36.07 75.25 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.058 -0.592 . . . . 0.28999999999999998 113.056 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.84 -29.91 60.36 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.734 -0.746 . . . . 0.37 111.865 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.727 HG23 HD13 ' A' ' 77' ' ' LEU . 40.3 t -66.58 -47.12 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.609 0.243 . . . . 1.1000000000000001 110.492 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.14 -36.82 78.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.48 110.552 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.08 -38.66 86.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.913 -0.585 . . . . 1.6200000000000001 110.427 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.8700000000000001 111.489 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.9 mm? -58.94 -52.56 65.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.54 110.084 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.29 -42.66 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 1.3 110.538 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.54 -49.48 77.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.606 -0.725 . . . . 2.3599999999999999 111.236 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 tp-100 -67.98 -43.73 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 1.9099999999999999 111.375 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.584 ' HB3' HG13 ' A' ' 52' ' ' ILE . 72.4 mtm -71.73 -50.76 27.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.994 -0.282 . . . . 1.3799999999999999 111.553 -176.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 49.83 68.73 0.7 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.344 0.592 . . . . 2.3199999999999998 109.805 -173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.584 HG13 ' HB3' ' A' ' 50' ' ' MET . 48.9 mt -110.99 143.09 21.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.896 -0.593 . . . . 2.04 110.59 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.35 84.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 3.2400000000000002 112.154 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -169.16 148.94 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 4.1200000000000001 109.198 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -87.15 121.24 29.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.43 . . . . 2.9500000000000002 110.972 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -87.41 69.3 9.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.724 -0.671 . . . . 2.1800000000000002 109.931 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -65.02 -32.55 74.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 2.7799999999999998 110.795 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -146.51 129.99 16.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.77 109.514 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 52.4 p90 -153.21 149.01 27.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.384 -0.371 . . . . 4.6200000000000001 110.356 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 155.17 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 1.28 110.626 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.549 HD23 HD22 ' A' ' 88' ' ' LEU . 13.8 tp -92.13 135.93 33.59 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.836 -0.431 . . . . 1.8100000000000001 109.836 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 38.6 t-105 -122.88 121.11 35.41 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.02 -0.536 . . . . 0.65000000000000002 110.387 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.427 ' HA ' HD11 ' A' ' 88' ' ' LEU . 4.5 t90 -89.38 109.03 19.98 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.379 -0.971 . . . . 0.34999999999999998 108.379 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.71 -35.33 78.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 2.3100000000000001 111.072 -172.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.86 -5.71 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.911 -0.586 . . . . 1.6899999999999999 111.495 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -125.7 -8.18 6.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.559 -0.291 . . . . 1.6000000000000001 111.154 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 14.1 mtp180 49.36 54.87 10.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.432 0.634 . . . . 4.0099999999999998 110.606 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -137.27 148.18 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 2.3799999999999999 110.872 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -95.83 121.98 38.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.217 -1.031 . . . . 0.66000000000000003 108.217 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD12 HD13 ' A' ' 39' ' ' ILE . 60.9 mt -82.06 102.25 10.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.926 -0.768 . . . . 1.3300000000000001 108.926 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.62 -1.12 9.06 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.376 -0.829 . . . . 1.3200000000000001 109.686 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -79.5 74.12 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.452 -0.794 . . . . 2.4700000000000002 108.869 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 p -68.58 -12.74 61.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.363 -0.835 . . . . 1.26 111.881 -174.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -84.39 -7.77 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 3.7000000000000002 109.982 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -95.87 145.85 25.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 0.88 109.902 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.874 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.1 p -96.67 174.5 6.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.328 -0.396 . . . . 1.0700000000000001 110.807 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD13 HG23 ' A' ' 42' ' ' VAL . 4.7 mp -55.56 -51.29 67.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 1.26 110.565 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.83 -37.32 86.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 1.49 110.755 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -67.5 -40.1 85.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.743 -0.662 . . . . 2.2999999999999998 111.023 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -76.41 -37.69 56.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.425 -0.352 . . . . 1.6399999999999999 110.96 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.41 -2.25 29.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.658 -0.782 . . . . 0.34999999999999998 112.485 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -77.95 114.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.192 0.52 . . . . 1.1299999999999999 110.108 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -113.43 -169.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.7 -0.682 . . . . 2.7999999999999998 110.975 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.91 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.107 0.78 . . . . 1.1799999999999999 113.107 -170.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -97.36 5.48 49.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.358 . . . . 2.1400000000000001 111.189 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 129.83 34.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.559 -0.291 . . . . 1.1499999999999999 110.681 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -78.54 122.09 25.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.744 -0.465 . . . . 2.1400000000000001 109.744 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.549 HD22 HD23 ' A' ' 61' ' ' LEU . 21.1 tp -124.15 144.25 50.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 1.1000000000000001 110.759 -171.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 17' ' ' ARG . 24.9 tp -122.27 146.0 47.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 1.1100000000000001 109.952 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' HB3' HG23 ' A' ' 18' ' ' VAL . 18.7 t80 -123.83 110.9 15.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.251 -0.648 . . . . 0.52000000000000002 109.251 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 t -142.33 148.33 47.16 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.543 . . . . 1.1899999999999999 111.196 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 13.5 Cg_endo -58.6 144.34 97.53 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.147 1.898 . . . . 1.4099999999999999 110.743 170.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -100.88 -16.5 17.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.022 0.439 . . . . 2.1099999999999999 110.454 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -139.33 109.54 6.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 5.5 110.383 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.86 100.25 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.134 0.492 . . . . 7.4199999999999999 110.148 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.454 -0.784 . . . . 8.6400000000000006 110.123 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.364 -0.294 . . . . 26.32 112.364 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.69 -44.49 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.81 0.338 . . . . 25.109999999999999 110.389 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -127.48 116.15 21.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 23.260000000000002 110.571 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.89 96.76 1.07 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.862 2.375 . . . . 22.710000000000001 111.049 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -70.11 96.09 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.459 . . . . 19.989999999999998 111.118 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 23.9 m -100.93 103.49 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.663 -0.699 . . . . 18.510000000000002 110.094 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -90.39 177.98 6.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.021 -0.536 . . . . 17.440000000000001 109.99 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.431 ' HB3' ' H ' ' A' ' 3' ' ' SER . 3.6 mm? 56.82 -152.21 0.39 Allowed 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.248 0.343 . . . . 15.1 110.445 -175.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.431 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 17.1 m -117.84 145.82 44.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 14.9 110.716 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -89.4 -47.34 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.042 -0.725 . . . . 12.44 109.042 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.13 -107.65 2.26 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.547 -0.751 . . . . 10.869999999999999 113.537 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.08 123.54 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.73 0.3 . . . . 8.9800000000000004 111.651 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' HG ' HG21 ' A' ' 8' ' ' THR . 65.6 tp 68.43 -78.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.209 -0.905 . . . . 9.4700000000000006 111.444 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.671 HG21 ' HG ' ' A' ' 7' ' ' LEU . 15.1 t -176.72 157.86 1.61 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 6.1900000000000004 109.703 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -151.41 79.87 1.29 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.056 0.455 . . . . 4.8399999999999999 110.488 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 94.58 1.03 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 2.5099999999999998 109.823 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 p -133.44 120.77 21.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.509 -0.769 . . . . 1.54 110.242 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.626 ' CH2' HD21 ' A' ' 77' ' ' LEU . 2.2 p-90 -128.01 155.67 43.93 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.153 -0.931 . . . . 0.46000000000000002 110.688 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -84.73 108.61 17.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.148 0.499 . . . . 2.3999999999999999 110.978 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 54.7 tp -101.99 111.12 23.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.505 -0.771 . . . . 1.3899999999999999 109.471 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 p -87.49 119.8 35.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.375 0.607 . . . . 1.5700000000000001 110.102 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.7 t -112.76 124.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.624 -0.717 . . . . 1.04 110.141 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.948 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.6 mtt180 -84.09 111.65 19.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 3.46 110.092 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.622 HG11 ' HE2' ' A' ' 50' ' ' MET . 42.3 t -87.04 124.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.481 -0.327 . . . . 1.1200000000000001 110.565 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.794 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.9 t70 -96.92 119.6 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.762 -0.829 . . . . 0.89000000000000001 108.762 175.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 25' ' ' GLN . 88.8 m-70 -95.58 123.98 39.39 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.201 -0.454 . . . . 1.3500000000000001 111.48 -173.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 92.86 0.23 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.655 -0.702 . . . . 2.0800000000000001 109.486 174.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -172.84 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.423 -0.808 . . . . 4.6900000000000004 109.522 -173.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.99 73.74 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.576 -0.821 . . . . 3.21 112.972 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 51.74 90.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.012 0.745 . . . . 6.1399999999999997 113.012 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 16.1 mm-40 -140.18 120.05 13.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.566 -0.743 . . . . 4.4800000000000004 109.538 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -109.28 103.26 12.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.342 0.401 . . . . 1.76 111.111 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 m -101.63 119.36 38.66 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.498 -0.556 . . . . 1.21 109.498 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.948 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 47.8 mt-10 -97.67 101.65 13.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.235 0.541 . . . . 2.3399999999999999 110.145 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.8 122.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.496 -0.774 . . . . 1.21 110.212 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m -97.02 103.68 15.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.1 0.476 . . . . 1.1699999999999999 110.191 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.86 139.75 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 1.21 110.064 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -92.54 109.59 21.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.657 -0.868 . . . . 4.2800000000000002 108.657 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 m -124.89 164.6 23.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.837 -0.62 . . . . 1.1100000000000001 111.394 -170.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -111.04 159.43 17.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.96 110.362 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.22 72.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.842 -0.694 . . . . 0.76000000000000001 112.741 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -91.02 14.72 13.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 2.21 111.769 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.2 tp -89.88 124.29 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.499 -0.556 . . . . 1.0600000000000001 109.499 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.877 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.8 p-80 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.691 -0.232 . . . . 0.57999999999999996 111.015 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.749 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.7 mm -51.24 -41.94 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.678 -0.692 . . . . 1.1000000000000001 112.715 -173.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.42 78.51 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.818 -0.706 . . . . 0.28999999999999998 112.617 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.69 -6.25 88.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.984 -0.626 . . . . 0.37 111.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.7 HG23 HD13 ' A' ' 77' ' ' LEU . 60.3 t -90.24 -50.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.877 -0.416 . . . . 1.1000000000000001 109.877 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.546 ' HA ' HD22 ' A' ' 46' ' ' LEU . 45.9 mtm -59.84 -34.84 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.963 -0.562 . . . . 1.48 110.659 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 1.6200000000000001 109.984 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.37 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.371 . . . . 1.8700000000000001 111.261 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 43' ' ' MET . 3.4 mm? -60.25 -52.33 65.73 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.922 0.391 . . . . 1.54 110.082 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.41 -39.86 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 1.3 110.635 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.45 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 2.3599999999999999 110.999 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.8 -49.72 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.9099999999999999 111.365 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.622 ' HE2' HG11 ' A' ' 18' ' ' VAL . 67.1 mtm -75.42 -48.34 23.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.325 . . . . 1.3799999999999999 111.52 -175.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 54.71 81.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.733 0.645 . . . . 2.3199999999999998 110.722 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.5 mt -130.05 130.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.781 -0.645 . . . . 2.04 109.833 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.37 94.98 1.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.092 -0.504 . . . . 3.2400000000000002 110.971 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -138.81 -175.03 4.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 4.1200000000000001 109.441 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.77 109.29 20.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.559 -0.534 . . . . 2.9500000000000002 109.559 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -111.66 43.19 1.57 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.026 -0.534 . . . . 2.1800000000000002 109.684 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -67.95 -51.01 52.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.101 0.476 . . . . 2.7799999999999998 110.728 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -132.76 101.98 5.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.029 0.918 . . . . 2.77 110.375 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 42.4 p90 -129.46 157.79 41.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.968 -1.015 . . . . 4.6200000000000001 109.858 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' HB1' ' HE3' ' A' ' 69' ' ' TRP . . . -156.51 165.25 36.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 1.28 110.86 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 88' ' ' LEU . 10.5 tp -89.24 136.0 33.26 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.705 -0.679 . . . . 1.8100000000000001 109.266 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 55.9 t-105 -113.08 112.4 23.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.024 0.44 . . . . 0.65000000000000002 110.385 -177.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -82.58 109.5 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.228 -1.027 . . . . 0.34999999999999998 108.228 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.94 -37.02 81.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.035 0.445 . . . . 2.3100000000000001 111.393 -172.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.75 -32.51 73.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.051 -0.522 . . . . 1.6899999999999999 111.317 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.13 -15.65 19.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 1.6000000000000001 111.142 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.71 65.14 1.6 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.108 -0.701 . . . . 4.0099999999999998 109.108 -172.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t -148.04 147.46 29.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 2.3799999999999999 110.731 -170.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.47 ' HE3' ' HB1' ' A' ' 60' ' ' ALA . 90.4 m95 -97.58 122.77 41.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.271 -0.64 . . . . 0.66000000000000003 109.271 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.1 mm? -74.76 104.05 5.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 1.3300000000000001 109.927 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.94 -9.45 15.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.472 -0.785 . . . . 1.3200000000000001 108.94 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HD2' ' CE3' ' A' ' 75' ' ' TRP . 50.9 mtmt -78.85 62.49 3.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.902 -1.045 . . . . 2.4700000000000002 109.309 172.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.749 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 40.6 p -69.51 -24.52 63.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.26 111.305 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -79.94 -13.74 59.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 3.7000000000000002 110.416 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.479 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 13.4 m0 -86.8 149.94 24.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.559 -0.534 . . . . 0.88 109.559 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.877 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.6 p -88.94 170.76 10.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.453 -0.339 . . . . 1.0700000000000001 111.147 -176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD13 HG23 ' A' ' 42' ' ' VAL . 3.6 mp -56.48 -46.51 80.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 1.26 110.801 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.13 -32.34 68.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.737 -0.665 . . . . 1.49 110.646 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.479 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 57.4 tptt -69.54 -35.16 75.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 2.2999999999999998 110.646 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.66 -23.79 36.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 1.6399999999999999 110.503 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.74 18.37 51.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.069 -0.586 . . . . 0.34999999999999998 112.459 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.85 109.1 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 1.1299999999999999 110.774 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -99.87 -170.09 1.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.282 -0.872 . . . . 2.7999999999999998 110.213 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB1' ' CE3' ' A' ' 12' ' ' TRP . . . -74.09 -4.37 35.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 1.1799999999999999 111.163 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.79 -14.63 44.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 2.1400000000000001 110.576 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.52 135.65 34.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.843 -0.617 . . . . 1.1499999999999999 111.896 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.51 109.48 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.91 -0.774 . . . . 2.1400000000000001 108.91 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 61' ' ' LEU . 14.8 tp -118.17 129.91 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.176 0.513 . . . . 1.1000000000000001 110.996 -173.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 17' ' ' ARG . 9.0 tp -114.9 152.99 31.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.324 -0.853 . . . . 1.1100000000000001 108.898 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -129.83 111.47 12.63 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.642 -0.503 . . . . 0.52000000000000002 109.642 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.794 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 4.6 t -140.86 143.28 31.2 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.394 -0.366 . . . . 1.1899999999999999 110.456 -174.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.642 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 26.1 Cg_exo -62.84 132.58 37.86 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.262 1.974 . . . . 1.4099999999999999 111.356 175.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -83.83 20.74 1.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.223 0.535 . . . . 2.1099999999999999 109.937 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -59.99 121.07 10.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.13 -0.941 . . . . 5.5 110.185 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.77 ' HD2' ' H ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -107.54 135.86 48.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.735 -0.666 . . . . 7.4199999999999999 109.974 -176.368 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.324 -0.846 . . . . 8.6400000000000006 109.406 179.296 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.306 -0.318 . . . . 26.32 112.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 39.2 pt -112.02 150.78 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 25.109999999999999 110.407 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -106.03 112.97 64.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.18 -0.464 . . . . 23.260000000000002 110.702 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.3 118.61 4.0 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.069 2.512 . . . . 22.710000000000001 111.694 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -98.51 133.92 42.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.972 -0.381 . . . . 19.989999999999998 109.972 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 8.9 p -80.38 137.04 36.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.009 0.433 . . . . 18.510000000000002 111.459 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -168.7 1.6 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.91 -0.586 . . . . 17.440000000000001 109.511 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.35 103.89 4.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 15.1 109.533 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -55.96 -36.7 68.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 14.9 112.367 -174.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -131.54 19.8 4.73 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.862 -0.335 . . . . 12.44 111.155 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.35 98.89 Favored Glycine 0 C--N 1.331 0.295 0 N-CA-C 109.62 -1.392 . . . . 10.869999999999999 109.62 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.35 -82.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.922 -1.139 . . . . 8.9800000000000004 113.83 -166.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.4 tp -158.01 145.49 18.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.727 -0.389 . . . . 9.4700000000000006 111.138 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -80.84 141.63 34.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.618 -0.719 . . . . 6.1900000000000004 109.683 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -94.95 93.87 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.052 -0.259 . . . . 4.8399999999999999 111.079 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.608 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . 61.41 100.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.865 0.728 . . . . 2.5099999999999998 112.588 174.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 15.4 m -110.77 97.19 6.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.206 0.527 . . . . 1.54 110.439 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.485 ' CH2' HD22 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -108.85 175.94 5.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.706 -0.679 . . . . 0.46000000000000002 111.591 -174.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -90.22 115.22 27.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 2.3999999999999999 110.223 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.06 108.68 17.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 1.3899999999999999 110.305 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.16 118.97 34.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.077 0.465 . . . . 1.5700000000000001 109.857 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' HB ' HD13 ' A' ' 46' ' ' LEU . 43.2 t -114.95 127.32 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.863 -0.608 . . . . 1.04 109.692 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.745 ' HB3' ' HB3' ' A' ' 26' ' ' GLN . 93.5 mtt180 -88.46 110.61 20.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.801 0.334 . . . . 3.46 110.507 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 46.6 t -93.09 113.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 1.1200000000000001 110.398 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.768 ' HB2' ' HG3' ' A' ' 26' ' ' GLN . 27.7 t70 -101.12 128.71 47.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.924 0.393 . . . . 0.89000000000000001 110.078 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.486 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 64.3 m-70 -97.9 112.5 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.517 -0.92 . . . . 1.3500000000000001 108.517 176.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB2' ' HG2' ' A' ' 92' ' ' PRO . . . -61.39 96.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.6 0.562 . . . . 2.0800000000000001 111.416 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 179.79 -41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.602 -0.726 . . . . 4.6900000000000004 109.502 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.7 52.12 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.603 -0.726 . . . . 3.21 112.168 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.486 ' HG3' ' HB2' ' A' ' 20' ' ' HIS . 6.6 mm-40 -105.28 166.12 10.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.042 0.449 . . . . 6.1399999999999997 111.036 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.52 28.51 8.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.567 0.699 . . . . 4.4800000000000004 110.045 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.768 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 1.2 mp0 62.56 115.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.746 -1.57 . . . . 1.76 112.358 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -78.65 132.74 37.17 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.251 -0.648 . . . . 1.21 109.251 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.739 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 37.7 mt-10 -97.88 104.85 16.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.328 0.585 . . . . 2.3399999999999999 110.523 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -101.53 121.03 51.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.347 -0.842 . . . . 1.21 110.437 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -93.84 104.03 16.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 1.1699999999999999 109.979 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.2 mt -95.38 144.67 25.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.716 -0.674 . . . . 1.21 111.156 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -92.35 108.33 19.88 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.746 -1.205 . . . . 4.2800000000000002 107.746 170.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 11' ' ' SER . 25.0 m -129.51 160.39 40.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.048 -0.523 . . . . 1.1100000000000001 110.724 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.608 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 13.4 m -125.37 162.02 25.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.223 -0.444 . . . . 1.96 110.675 -176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -65.83 -29.36 74.9 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.922 -0.656 . . . . 0.76000000000000001 112.032 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.31 0.9 47.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.955 0.407 . . . . 2.21 110.91 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 77' ' ' LEU . 51.5 tp -84.86 130.66 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 1.0600000000000001 109.941 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.7 p-80 -84.17 148.7 26.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.57999999999999996 110.825 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.566 HG23 ' HB3' ' A' ' 70' ' ' LEU . 15.7 mm -53.78 -37.12 31.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.096 0.559 . . . . 1.1000000000000001 112.283 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.95 -26.79 61.26 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.196 -0.526 . . . . 0.28999999999999998 112.56 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -82.76 -31.47 29.55 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.37 111.74 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.74 HG22 HD13 ' A' ' 77' ' ' LEU . 68.0 t -67.65 -51.3 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.337 0.113 . . . . 1.1000000000000001 111.029 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.614 ' HA ' HD23 ' A' ' 46' ' ' LEU . 43.6 mtm -62.37 -30.87 71.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.958 0.409 . . . . 1.48 110.731 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 tp -70.73 -30.86 67.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 1.6200000000000001 110.489 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 68.3 mttm -66.7 -29.16 69.09 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.3 -0.409 . . . . 1.8700000000000001 111.296 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD23 ' HA ' ' A' ' 43' ' ' MET . 2.7 mm? -60.66 -53.21 60.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 1.54 110.0 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.68 -34.86 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.4 0.619 . . . . 1.3 110.05 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.4 -32.37 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.011 -0.995 . . . . 2.3599999999999999 111.519 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 12.2 mm100 -72.05 -54.47 9.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.114 0.413 . . . . 1.9099999999999999 112.114 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -77.16 -14.51 59.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.644 -0.422 . . . . 1.3799999999999999 110.906 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 56.08 67.77 0.96 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.344 0.592 . . . . 2.3199999999999998 110.455 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.2 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 2.04 109.595 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.33 37.82 2.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.23 0.538 . . . . 3.2400000000000002 110.538 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -145.35 133.55 21.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.727 -0.669 . . . . 4.1200000000000001 111.601 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.88 63.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.504 0.927 . . . . 2.9500000000000002 113.504 171.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.67 -89.82 0.5 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 2.1800000000000002 109.194 168.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t 61.04 -77.55 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.806 0.692 . . . . 2.7799999999999998 111.7 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.24 101.89 14.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.195 -0.457 . . . . 2.77 109.783 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -151.72 146.16 25.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.759 -0.655 . . . . 4.6200000000000001 110.042 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.48 162.72 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 1.28 110.464 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD21 HD22 ' A' ' 88' ' ' LEU . 14.7 tp -99.27 139.08 35.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.029 -0.532 . . . . 1.8100000000000001 110.251 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -121.14 118.01 28.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.65000000000000002 110.678 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 65' ' ' GLN . 7.7 t90 -95.67 110.2 22.35 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.985 -0.746 . . . . 0.34999999999999998 108.985 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.24 -22.69 61.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.87 0.693 . . . . 2.3100000000000001 112.87 -170.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.434 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 97.7 mt-30 -87.13 11.53 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.274 0.559 . . . . 1.6899999999999999 111.214 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -142.39 -32.7 0.49 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.449 -0.796 . . . . 1.6000000000000001 109.188 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 61.96 83.78 0.15 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.509 -1.223 . . . . 4.0099999999999998 110.532 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 p -169.65 150.62 4.09 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 113.543 -1.662 . . . . 2.3799999999999999 108.76 -171.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.81 122.12 37.1 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.923 -0.769 . . . . 0.66000000000000003 108.923 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 39' ' ' ILE . 3.8 mm? -69.82 102.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.197 0.522 . . . . 1.3300000000000001 109.77 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -113.7 3.05 15.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.506 -0.77 . . . . 1.3200000000000001 109.035 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 2.5 mptp? -82.17 61.22 5.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.678 -1.146 . . . . 2.4700000000000002 108.645 174.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.454 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 6.1 p -66.28 -28.04 68.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.578 -0.737 . . . . 1.26 112.26 -172.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -86.01 -13.16 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 3.7000000000000002 110.596 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.533 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 11.1 m0 -78.86 146.58 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.924 -0.398 . . . . 0.88 109.924 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.725 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.0 p -88.02 163.37 16.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 1.0700000000000001 110.843 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 42' ' ' VAL . 6.4 mp -57.36 -41.53 80.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.26 110.999 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.92 -31.08 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.491 -0.777 . . . . 1.49 110.632 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.86 -36.3 56.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 2.2999999999999998 110.492 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.74 -43.83 65.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 1.6399999999999999 110.586 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.35 8.95 37.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.34999999999999998 112.808 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.42 128.92 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.042 -0.355 . . . . 1.1299999999999999 110.042 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.1 178.25 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.522 . . . . 2.7999999999999998 111.35 -175.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . . . -67.19 -31.58 72.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 1.1799999999999999 111.379 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.22 0.09 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 2.1400000000000001 111.173 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.7 122.02 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.401 -0.363 . . . . 1.1499999999999999 110.862 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.87 116.23 4.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.379 -0.373 . . . . 2.1400000000000001 110.104 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.541 HD22 HD21 ' A' ' 61' ' ' LEU . 12.1 tp -120.36 119.08 32.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 1.1000000000000001 110.364 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.35 138.13 45.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 1.1100000000000001 109.911 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 11.8 t80 -114.5 108.69 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.827 -0.805 . . . . 0.52000000000000002 108.827 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 t -142.51 150.85 55.9 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.873 -0.603 . . . . 1.1899999999999999 110.292 -173.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 47.0 Cg_exo -57.52 147.0 81.24 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.422 2.081 . . . . 1.4099999999999999 112.113 174.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.25 -0.61 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.942 -0.572 . . . . 2.1099999999999999 109.858 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -56.18 144.73 28.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 5.5 110.747 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.61 100.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.839 -0.619 . . . . 7.4199999999999999 110.651 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.613 -0.708 . . . . 8.6400000000000006 109.634 -179.168 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.217 -0.753 . . . . 26.32 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 5.1 tp -99.24 91.99 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.901 0.858 . . . . 25.109999999999999 108.879 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 14.3 m-20 -108.29 138.65 20.23 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.485 -0.78 . . . . 23.260000000000002 110.488 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 2.7 Cg_endo -79.08 103.22 1.61 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.977 2.452 . . . . 22.710000000000001 112.287 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -111.99 -14.38 13.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.059 -0.519 . . . . 19.989999999999998 109.713 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 26.7 m -66.44 -51.65 54.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 18.510000000000002 110.923 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE2' ' OG ' ' A' ' 3' ' ' SER . 25.9 ttt -107.54 129.25 54.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.283 -0.417 . . . . 17.440000000000001 110.247 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 tp -118.63 96.85 5.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.232 0.539 . . . . 15.1 110.176 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.406 ' OG ' ' HE2' ' A' ' 1' ' ' MET . 45.3 m -125.72 106.89 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.769 -0.65 . . . . 14.9 109.957 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -125.84 11.92 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.892 -0.595 . . . . 12.44 110.353 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.56 82.54 1.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.78 -0.724 . . . . 10.869999999999999 111.897 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.64 106.29 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.862 -0.421 . . . . 8.9800000000000004 109.862 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.02 117.67 6.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.331 0.586 . . . . 9.4700000000000006 111.693 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -132.54 118.6 19.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.565 -0.743 . . . . 6.1900000000000004 109.848 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -138.8 150.68 46.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.538 -0.301 . . . . 4.8399999999999999 110.497 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.4 23.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.849 -0.614 . . . . 2.5099999999999998 110.804 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -102.49 145.22 29.88 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.498 -0.774 . . . . 1.54 111.338 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.586 ' CH2' HD21 ' A' ' 77' ' ' LEU . 1.3 p-90 -127.98 162.01 27.8 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.187 -0.915 . . . . 0.46000000000000002 110.094 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.2 109.77 21.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.587 0.708 . . . . 2.3999999999999999 111.081 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD11 HG21 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -100.64 113.72 26.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.217 -1.031 . . . . 1.3899999999999999 108.217 175.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.701 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 3.7 p -81.85 115.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.644 -0.873 . . . . 1.5700000000000001 108.644 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.752 HG21 HD11 ' A' ' 14' ' ' LEU . 41.4 t -107.07 116.87 51.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.68 -0.691 . . . . 1.04 109.282 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.522 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 80.3 mtp180 -85.24 111.66 20.04 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.473 -0.566 . . . . 3.46 109.473 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.702 HG12 ' HE1' ' A' ' 50' ' ' MET . 48.5 t -85.85 115.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.795 -0.639 . . . . 1.1200000000000001 110.263 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.601 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 15.9 t70 -95.93 104.75 16.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.135 -0.691 . . . . 0.89000000000000001 109.135 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -74.12 93.38 2.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.453 -0.943 . . . . 1.3500000000000001 108.453 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -51.18 131.65 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.23 -0.896 . . . . 2.0800000000000001 112.202 -172.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 94.0 m-20 76.65 -8.87 1.59 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.319 -0.855 . . . . 4.6900000000000004 111.298 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.01 -22.8 12.42 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.597 -1.001 . . . . 3.21 110.597 172.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 73.86 -8.94 1.31 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 6.1399999999999997 112.75 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -84.3 125.6 32.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.757 0.313 . . . . 4.4800000000000004 110.434 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 69.9 mt-30 -108.4 126.3 52.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.071 -0.513 . . . . 1.76 109.968 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -104.1 139.17 39.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.973 -0.558 . . . . 1.21 109.983 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 4.8 mp0 -96.66 103.09 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.3399999999999999 110.176 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' ' 49' ' ' GLN . 49.3 mm -106.18 104.92 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.598 -0.728 . . . . 1.21 109.978 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.701 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.3 m -87.56 103.69 15.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.014 0.435 . . . . 1.1699999999999999 110.122 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.0 mt -97.56 137.53 36.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.962 -0.563 . . . . 1.21 111.072 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 32' ' ' ARG . 42.9 ttm180 -92.58 108.27 19.85 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.271 -1.011 . . . . 4.2800000000000002 108.271 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.94 147.38 31.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.779 -0.646 . . . . 1.1100000000000001 111.85 -169.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.9 m -90.16 159.83 16.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.506 -0.77 . . . . 1.96 110.538 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.06 -25.92 70.04 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.591 -0.814 . . . . 0.76000000000000001 111.527 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.5 -1.1 49.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.211 0.529 . . . . 2.21 110.666 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 77' ' ' LEU . 49.4 tp -79.65 132.18 36.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.691 -0.485 . . . . 1.0600000000000001 109.691 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -78.49 147.41 33.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.339 -0.392 . . . . 0.57999999999999996 110.698 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 70' ' ' LEU . 13.5 mm -51.92 -43.77 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 123.063 0.545 . . . . 1.1000000000000001 112.042 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.472 ' HA2' ' SD ' ' A' ' 43' ' ' MET . . . -57.98 -28.14 60.52 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 121.066 -0.587 . . . . 0.28999999999999998 112.768 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -42.33 58.61 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.143 -0.783 . . . . 0.37 111.143 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG21 HD13 ' A' ' 77' ' ' LEU . 57.8 t -62.83 -43.5 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.978 -0.378 . . . . 1.1000000000000001 109.978 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' HA2' ' A' ' 40' ' ' GLY . 76.2 mtp -52.94 -43.44 66.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.57 -0.741 . . . . 1.48 111.012 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.05 -36.16 66.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.039 -0.528 . . . . 1.6200000000000001 110.729 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 66.0 mttm -68.65 -21.39 64.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.588 0.588 . . . . 1.8700000000000001 112.588 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -61.62 -47.66 84.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.386 -0.526 . . . . 1.54 109.86 171.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.12 -33.89 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 1.3 110.013 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.698 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 31.0 tt0 -59.27 -50.11 75.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.92 -0.582 . . . . 2.3599999999999999 110.757 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' ' 29' ' ' ILE . 8.4 tp-100 -72.45 -52.86 14.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.714 -0.676 . . . . 1.9099999999999999 111.663 -176.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.702 ' HE1' HG12 ' A' ' 18' ' ' VAL . 7.0 ttp -67.53 -27.82 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.612 -0.514 . . . . 1.3799999999999999 109.612 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 57.77 75.49 0.37 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.018 -0.992 . . . . 2.3199999999999998 111.311 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' HB ' ' HZ2' ' A' ' 56' ' ' TRP . 46.3 mt -136.88 100.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.676 -0.693 . . . . 2.04 110.177 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.62 100.75 9.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.838 0.352 . . . . 3.2400000000000002 110.45 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -155.93 -174.36 4.92 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.572 -0.529 . . . . 4.1200000000000001 109.572 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.46 99.21 8.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.812 -0.44 . . . . 2.9500000000000002 109.812 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.474 ' HZ2' ' HB ' ' A' ' 52' ' ' ILE . 94.8 m95 -89.21 -29.39 19.31 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.529 -0.545 . . . . 2.1800000000000002 109.529 176.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 m 66.5 -71.56 0.09 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.152 -0.931 . . . . 2.7799999999999998 111.361 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -141.29 137.83 32.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.091 -0.707 . . . . 2.77 109.091 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 35.5 p90 -148.98 143.21 25.98 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.716 -0.674 . . . . 4.6200000000000001 110.181 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HA ' ' HE3' ' A' ' 43' ' ' MET . . . -161.51 171.49 18.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.498 -0.319 . . . . 1.28 110.603 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.815 HD13 ' HG ' ' A' ' 88' ' ' LEU . 3.2 mm? -92.8 134.08 35.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.096 0.474 . . . . 1.8100000000000001 110.99 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -105.53 112.27 25.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.474 -0.785 . . . . 0.65000000000000002 109.608 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -91.82 109.04 20.36 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.671 -0.863 . . . . 0.34999999999999998 108.671 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.68 -32.91 73.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 2.3100000000000001 111.062 -173.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -72.98 -9.65 58.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.975 -0.557 . . . . 1.6899999999999999 111.623 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.81 -12.29 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.648 -0.251 . . . . 1.6000000000000001 111.363 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 56.83 38.39 29.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.07 0.462 . . . . 4.0099999999999998 110.476 -174.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 t -132.3 148.76 52.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.93 -0.577 . . . . 2.3799999999999999 110.423 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.453 ' HH2' HG21 ' A' ' 91' ' ' THR . 91.4 m95 -96.01 130.19 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.66000000000000003 109.665 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.624 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.9 mm? -75.55 102.74 5.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.154 0.502 . . . . 1.3300000000000001 110.076 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.34 9.31 13.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.3200000000000001 109.119 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.718 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 3.1 mptp? -80.55 69.96 7.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.86 -1.064 . . . . 2.4700000000000002 109.045 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -68.34 -26.56 65.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.716 -0.675 . . . . 1.26 111.801 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -85.14 -28.65 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 3.7000000000000002 110.095 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.718 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 12.1 m95 -71.36 143.54 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.174 0.512 . . . . 0.88 110.855 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.767 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 22.2 p -87.85 162.21 17.09 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.581 -0.736 . . . . 1.0700000000000001 110.822 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD21 ' CH2' ' A' ' 12' ' ' TRP . 6.7 mp -56.41 -48.24 77.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 1.26 111.465 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.03 -31.57 71.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.507 . . . . 1.49 111.056 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 50.3 tttp -74.71 -38.81 62.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 2.2999999999999998 110.466 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.2 t -64.11 -43.45 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.6399999999999999 110.511 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.0 -9.5 18.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.638 -0.791 . . . . 0.34999999999999998 112.578 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.11 112.7 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.446 0.641 . . . . 1.1299999999999999 110.852 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -105.07 -173.61 2.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.568 -0.742 . . . . 2.7999999999999998 110.41 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -68.87 -14.51 63.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 1.1799999999999999 111.679 -175.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.33 11.12 24.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 2.1400000000000001 111.588 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.67 149.5 28.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.513 0.197 . . . . 1.1499999999999999 111.062 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -84.77 117.69 23.99 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.823 -0.436 . . . . 2.1400000000000001 109.823 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.815 ' HG ' HD13 ' A' ' 61' ' ' LEU . 13.2 tp -123.84 117.53 25.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 1.1000000000000001 110.544 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 17' ' ' ARG . 23.8 tp -104.6 134.92 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.723 -0.671 . . . . 1.1100000000000001 109.602 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.598 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 63.7 t80 -109.6 108.03 18.31 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.355 -0.538 . . . . 0.52000000000000002 110.019 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.601 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.4 t -144.13 151.66 52.58 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.501 -0.555 . . . . 1.1899999999999999 109.501 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.27 141.95 47.93 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.426 2.084 . . . . 1.4099999999999999 111.889 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -89.17 -13.0 39.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 2.1099999999999999 110.104 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.1 m80 68.78 26.52 6.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.19 -0.913 . . . . 5.5 112.338 172.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -165.27 106.37 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.988 0.423 . . . . 7.4199999999999999 110.806 175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.252 -0.88 . . . . 8.6400000000000006 109.756 177.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.747 -0.541 . . . . 26.32 111.747 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 39.2 pt -90.8 -29.73 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.845 0.355 . . . . 25.109999999999999 110.754 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 9.0 p-10 -84.24 120.19 74.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.074 -0.512 . . . . 23.260000000000002 111.145 -176.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 5.3 Cg_exo -80.87 -70.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.99 2.46 . . . . 22.710000000000001 111.664 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.09 78.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.582 . . . . 19.989999999999998 109.74 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 12.7 t -173.61 161.46 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.787 0.327 . . . . 18.510000000000002 110.664 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.822 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 3.4 tpt -147.25 10.32 0.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.437 0.637 . . . . 17.440000000000001 109.905 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -135.41 165.99 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.967 -0.56 . . . . 15.1 111.107 -177.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -111.87 123.25 49.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.967 -0.561 . . . . 14.9 110.053 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 m 62.05 28.5 17.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.193 -0.458 . . . . 12.44 111.199 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.2 -32.43 55.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.891 -0.671 . . . . 10.869999999999999 112.081 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -84.63 156.15 21.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.983 -0.377 . . . . 8.9800000000000004 109.983 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -128.38 -8.1 5.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.201 -0.454 . . . . 9.4700000000000006 110.026 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -66.42 -24.85 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 6.1900000000000004 111.074 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' SER . 50.4 m -92.59 -29.89 15.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.273 . . . . 4.8399999999999999 110.874 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.26 49.34 11.27 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.836 -0.62 . . . . 2.5099999999999998 109.878 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 14.6 m -91.08 146.18 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.54 111.138 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.461 ' CH2' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -150.11 160.84 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.375 -0.829 . . . . 0.46000000000000002 109.965 177.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 17.5 mp0 -85.65 107.53 17.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.055 0.455 . . . . 2.3999999999999999 110.809 -177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 84' ' ' ALA . 60.4 tp -103.34 122.61 45.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.781 -0.645 . . . . 1.3899999999999999 110.233 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.4 p -93.44 119.41 41.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.356 0.598 . . . . 1.5700000000000001 110.106 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.509 ' HB ' HD13 ' A' ' 46' ' ' LEU . 42.5 t -114.72 125.38 72.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.762 -0.654 . . . . 1.04 109.955 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.557 ' O ' HD11 ' A' ' 89' ' ' LEU . 98.4 mtt180 -84.23 122.16 28.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.167 -0.469 . . . . 3.46 109.962 177.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.666 HG11 ' HE2' ' A' ' 50' ' ' MET . 46.3 t -92.58 123.86 44.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 116.341 -0.391 . . . . 1.1200000000000001 110.377 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.849 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.3 t70 -95.96 113.92 25.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.522 -0.548 . . . . 0.89000000000000001 109.522 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -87.06 141.83 28.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.561 -0.745 . . . . 1.3500000000000001 110.279 -174.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.12 115.71 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.881 -0.599 . . . . 2.0800000000000001 111.24 -174.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 66.47 15.27 10.06 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.431 -0.804 . . . . 4.6900000000000004 110.751 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.88 126.4 6.97 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.899 -0.667 . . . . 3.21 112.119 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.83 -13.49 59.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 6.1399999999999997 110.881 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -77.15 101.8 6.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.634 -0.712 . . . . 4.4800000000000004 109.92 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -98.45 112.44 24.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.913 -0.585 . . . . 1.76 109.702 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -78.12 136.49 37.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 1.21 110.672 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -98.84 105.95 18.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.774 0.797 . . . . 2.3399999999999999 110.272 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 HG23 ' HG ' ' A' ' 31' ' ' LEU . 45.3 mm -100.6 116.53 44.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.55 -0.75 . . . . 1.21 110.484 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 21.9 m -96.02 104.11 16.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.286 0.565 . . . . 1.1699999999999999 109.803 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 29' ' ' ILE . 95.7 mt -104.17 141.91 35.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.487 -0.779 . . . . 1.21 110.516 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -91.48 108.63 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.338 -0.986 . . . . 4.2800000000000002 108.338 173.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.0 148.52 30.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 1.1100000000000001 111.248 -172.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 14.3 m -89.71 148.38 23.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.876 -0.602 . . . . 1.96 110.035 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.36 -31.55 77.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.656 -0.783 . . . . 0.76000000000000001 111.788 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.21 2.4 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.507 . . . . 2.21 111.077 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.6 tp -78.79 131.63 36.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.684 -0.487 . . . . 1.0600000000000001 109.684 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.58 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.8 p-80 -78.15 147.31 34.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.57999999999999996 110.748 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.458 HG23 ' HB3' ' A' ' 70' ' ' LEU . 17.5 mm -51.68 -42.44 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.942 -0.572 . . . . 1.1000000000000001 112.436 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.44 -24.87 56.99 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.176 -0.535 . . . . 0.28999999999999998 112.966 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 -37.02 20.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.928 -0.653 . . . . 0.37 111.601 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.663 HG22 HD11 ' A' ' 77' ' ' LEU . 41.1 t -64.8 -43.41 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.81 -0.441 . . . . 1.1000000000000001 109.81 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.556 ' HE3' ' HA ' ' A' ' 60' ' ' ALA . 67.2 mtp -54.08 -38.93 65.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.445 -0.798 . . . . 1.48 111.166 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 60.2 tp -72.55 -39.62 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.043 -0.526 . . . . 1.6200000000000001 110.743 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 63.9 mttm -62.99 -27.67 69.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.15 -0.477 . . . . 1.8700000000000001 111.908 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD13 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -62.12 -46.9 86.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 1.54 110.998 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.18 -49.72 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.511 . . . . 1.3 111.299 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 45' ' ' LYS . 7.8 pt-20 -67.12 -26.05 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 2.3599999999999999 112.212 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' HG2' HG21 ' A' ' 29' ' ' ILE . 6.9 tp-100 -69.98 -32.61 70.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 1.9099999999999999 110.912 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.666 ' HE2' HG11 ' A' ' 18' ' ' VAL . 61.6 mtm -96.41 -49.75 5.04 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.969 -0.292 . . . . 1.3799999999999999 110.992 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 54.78 70.49 0.62 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.715 0.634 . . . . 2.3199999999999998 111.209 -175.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.75 142.01 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.523 -0.762 . . . . 2.04 109.176 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.15 81.62 3.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.054 0.454 . . . . 3.2400000000000002 110.997 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -148.19 171.7 15.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.755 -0.657 . . . . 4.1200000000000001 109.316 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.41 109.13 20.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.178 0.513 . . . . 2.9500000000000002 110.695 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -80.15 -59.89 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.113 -0.699 . . . . 2.1800000000000002 109.113 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 t 64.6 -84.03 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.802 -1.09 . . . . 2.7799999999999998 111.081 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -95.09 75.83 3.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.558 -0.534 . . . . 2.77 109.558 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 48.6 p90 -94.32 143.69 26.17 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.151 -0.477 . . . . 4.6200000000000001 110.233 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.556 ' HA ' ' HE3' ' A' ' 43' ' ' MET . . . -152.99 169.2 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 1.28 110.64 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD23 HD22 ' A' ' 88' ' ' LEU . 15.4 tp -108.24 138.41 44.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.414 -0.357 . . . . 1.8100000000000001 110.099 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -123.05 126.14 46.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.879 -0.6 . . . . 0.65000000000000002 110.282 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.447 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.3 t90 -95.66 110.05 22.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.662 -0.866 . . . . 0.34999999999999998 108.662 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.14 -35.97 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 2.3100000000000001 111.17 -173.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.41 -26.68 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 1.6899999999999999 111.951 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.0 mmtt -115.09 -6.67 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.055 0.391 . . . . 1.6000000000000001 112.055 -174.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 60.6 42.41 14.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.227 0.329 . . . . 4.0099999999999998 111.068 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.3 p -130.5 148.89 52.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.935 0.398 . . . . 2.3799999999999999 111.742 -174.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -95.87 123.87 39.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.051 -1.092 . . . . 0.66000000000000003 108.051 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.7 mm? -73.02 103.35 3.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.762 -0.458 . . . . 1.3300000000000001 109.762 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -108.56 5.86 25.46 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.836 -0.801 . . . . 1.3200000000000001 108.836 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 37.4 mttm -83.21 57.76 4.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 2.4700000000000002 108.821 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -62.62 -30.17 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 1.26 112.318 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -85.74 -21.44 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 3.7000000000000002 110.413 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.408 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.2 m0 -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.038 -0.528 . . . . 0.88 110.342 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.6 p -96.26 168.9 10.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.876 -0.602 . . . . 1.0700000000000001 111.031 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 42' ' ' VAL . 5.2 mp -60.24 -43.77 95.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.878 -0.601 . . . . 1.26 111.579 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.0 -43.07 83.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 1.49 110.644 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 59.1 tptt -60.54 -38.15 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.228 -0.896 . . . . 2.2999999999999998 111.376 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -73.51 -37.94 65.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 1.6399999999999999 110.635 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.7 24.37 13.72 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.592 -0.813 . . . . 0.34999999999999998 112.633 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -101.28 118.81 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.086 0.469 . . . . 1.1299999999999999 110.394 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.03 -175.68 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 2.7999999999999998 111.435 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -79.88 -13.99 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 1.1799999999999999 112.183 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.77 -1.74 52.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.807 0.337 . . . . 2.1400000000000001 110.76 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.76 131.16 36.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.986 -0.552 . . . . 1.1499999999999999 110.586 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -71.82 97.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 2.1400000000000001 109.818 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.537 HD22 HD23 ' A' ' 61' ' ' LEU . 14.4 tp -100.98 135.99 41.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.352 -0.84 . . . . 1.1000000000000001 109.638 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.557 HD11 ' O ' ' A' ' 17' ' ' ARG . 29.3 tp -118.28 132.61 56.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.5 -0.318 . . . . 1.1100000000000001 110.332 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.2 t80 -111.77 111.36 22.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.779 -0.452 . . . . 0.52000000000000002 109.779 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.849 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.2 t -141.51 143.07 28.35 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.004 -0.544 . . . . 1.1899999999999999 110.004 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.602 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 22.4 Cg_exo -64.68 134.12 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.949 1.766 . . . . 1.4099999999999999 110.955 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -78.15 64.67 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.58 0.705 . . . . 2.1099999999999999 111.266 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -120.58 98.3 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.293 -0.867 . . . . 5.5 109.39 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -137.83 143.23 40.88 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.244 -0.434 . . . . 7.4199999999999999 110.485 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.406 -0.806 . . . . 8.6400000000000006 109.481 174.361 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.964 -0.454 . . . . 26.32 111.964 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 56.8 mt -95.69 -48.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 25.109999999999999 110.561 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.692 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 10.9 m-20 -81.75 -54.7 0.65 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 23.260000000000002 111.812 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.692 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 23.4 Cg_exo -65.46 128.22 19.79 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.125 1.883 . . . . 22.710000000000001 111.965 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -86.8 -6.93 58.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.142 0.496 . . . . 19.989999999999998 110.618 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 4.1 m -90.42 134.72 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.078 -0.51 . . . . 18.510000000000002 109.835 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt -70.74 129.24 38.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.775 0.321 . . . . 17.440000000000001 110.293 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.41 6.59 36.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.253 -0.43 . . . . 15.1 111.33 -178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -79.09 -22.52 45.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 14.9 111.21 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 m 71.98 -54.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.313 0.645 . . . . 12.44 111.476 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.64 152.89 20.83 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.541 -0.624 . . . . 10.869999999999999 111.541 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.52 -168.65 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.993 -0.373 . . . . 8.9800000000000004 109.993 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 tp -80.48 61.87 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.431 0.634 . . . . 9.4700000000000006 110.328 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 9' ' ' SER . 95.2 m -161.29 147.22 14.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.801 . . . . 6.1900000000000004 109.227 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' THR . 5.7 p -75.43 168.44 20.0 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.956 0.407 . . . . 4.8399999999999999 110.703 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.79 -177.23 2.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.737 -0.665 . . . . 2.5099999999999998 110.487 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 8.7 m -88.49 106.61 18.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.326 0.584 . . . . 1.54 109.552 173.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 14' ' ' LEU . 13.9 p-90 -109.72 148.33 31.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.197 -0.91 . . . . 0.46000000000000002 110.246 -176.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.4 pt-20 -92.58 124.44 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.508 0.67 . . . . 2.3999999999999999 110.886 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 53.3 tp -111.43 130.2 55.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.969 -1.014 . . . . 1.3899999999999999 110.217 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.8 118.32 34.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.685 -0.487 . . . . 1.5700000000000001 109.685 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.39 121.48 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.719 -0.673 . . . . 1.04 109.817 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' O ' HD12 ' A' ' 89' ' ' LEU . 64.9 mtt180 -88.15 118.03 27.45 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 3.46 109.891 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 t -89.16 124.71 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.263 -0.426 . . . . 1.1200000000000001 110.317 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.5 113.93 25.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 0.89000000000000001 109.67 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -106.56 102.08 11.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.707 -0.679 . . . . 1.3500000000000001 110.84 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -66.56 144.73 56.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.529 -0.76 . . . . 2.0800000000000001 109.859 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.4 m-80 70.93 15.93 6.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.496 0.665 . . . . 4.6900000000000004 109.595 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.74 172.06 25.78 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.598 -1.001 . . . . 3.21 110.598 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.29 151.2 37.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.191 0.495 . . . . 6.1399999999999997 111.477 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 71.55 112.03 0.06 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.326 1.017 . . . . 4.4800000000000004 111.98 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -70.65 114.74 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.997 -0.742 . . . . 1.76 108.997 171.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 m -77.54 130.94 37.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.382 -0.372 . . . . 1.21 110.468 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -96.3 101.47 13.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.455 -0.572 . . . . 2.3399999999999999 109.455 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.0 mm -98.67 121.63 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 1.21 110.54 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -95.22 112.02 23.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.165 -0.471 . . . . 1.1699999999999999 109.891 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HG ' HG22 ' A' ' 29' ' ' ILE . 96.4 mt -116.46 129.42 56.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.221 -0.445 . . . . 1.21 110.284 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.666 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.7 ttm180 -92.78 110.1 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.313 -0.625 . . . . 4.2800000000000002 109.313 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' SER . 34.6 m -117.57 151.11 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.457 -0.792 . . . . 1.1100000000000001 111.147 -172.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -94.98 161.09 14.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 1.96 109.823 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.01 -19.12 67.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.872 -0.68 . . . . 0.76000000000000001 112.691 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.6 5.74 48.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.553 0.216 . . . . 2.21 111.499 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD21 ' A' ' 77' ' ' LEU . 47.3 tp -89.83 130.0 36.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.725 -0.472 . . . . 1.0600000000000001 109.725 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.764 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 50.6 p-80 -82.35 153.83 25.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.486 -0.324 . . . . 0.57999999999999996 111.036 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.748 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 18.6 mm -49.83 -47.95 22.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 123.664 0.786 . . . . 1.1000000000000001 112.189 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.86 -29.86 68.44 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.018 -0.611 . . . . 0.28999999999999998 112.592 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.23 -37.37 48.63 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.12 -0.792 . . . . 0.37 111.12 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 77' ' ' LEU . 39.0 t -63.33 -46.07 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 1.1000000000000001 109.348 174.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.519 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.2 mtp -58.14 -37.32 74.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.465 -0.788 . . . . 1.48 110.747 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.35 -29.67 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 1.6200000000000001 110.568 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.4 mttm -73.47 -22.08 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.8700000000000001 111.796 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mm? -63.09 -43.06 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 1.54 109.119 170.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.31 -37.17 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 1.3 109.932 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 32.4 tt0 -59.75 -34.35 72.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.054 -0.976 . . . . 2.3599999999999999 111.351 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.481 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.2 tp60 -72.14 -54.54 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 1.9099999999999999 111.932 -174.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.436 ' HB3' HG13 ' A' ' 52' ' ' ILE . 4.5 mpp? -92.65 -32.37 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 1.3799999999999999 111.929 -175.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.4 m120 62.21 27.03 16.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 111.96 0.355 . . . . 2.3199999999999998 111.96 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 50' ' ' MET . 51.1 mt -67.11 130.13 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.255 -0.276 . . . . 2.04 110.255 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 95.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.023 0.44 . . . . 3.2400000000000002 110.217 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HG2' HG21 ' A' ' 52' ' ' ILE . 13.1 mm100 -139.73 179.19 6.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 4.1200000000000001 110.246 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.72 93.51 9.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.085 -0.709 . . . . 2.9500000000000002 109.085 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.73 13.27 16.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 2.1800000000000002 110.835 -175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.2 -31.52 64.23 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.088 -0.708 . . . . 2.7799999999999998 109.088 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -96.44 97.56 9.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 2.77 109.876 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.635 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -165.59 157.95 15.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 4.6200000000000001 110.5 -177.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -172.0 165.22 6.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 1.28 110.615 174.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD11 HG23 ' A' ' 39' ' ' ILE . 87.6 mt -98.89 130.67 45.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.876 0.369 . . . . 1.8100000000000001 110.522 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.521 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 56.0 t-105 -106.41 113.59 27.19 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.775 -0.648 . . . . 0.65000000000000002 109.756 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -86.22 109.32 18.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.657 -0.868 . . . . 0.34999999999999998 108.657 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.39 -41.87 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.605 -0.271 . . . . 2.3100000000000001 111.466 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 97.1 mt-30 -55.33 -39.85 70.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 1.6899999999999999 111.528 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -98.5 -19.34 17.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.457 -0.338 . . . . 1.6000000000000001 111.211 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 57.41 79.82 0.18 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.329 -0.619 . . . . 4.0099999999999998 109.329 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 t -164.41 148.36 9.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.487 -0.779 . . . . 2.3799999999999999 110.158 -172.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.427 ' CZ3' HG23 ' A' ' 91' ' ' THR . 84.4 m95 -96.58 124.89 40.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.271 -0.64 . . . . 0.66000000000000003 109.271 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -69.01 104.61 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.122 0.487 . . . . 1.3300000000000001 110.102 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.45 -12.58 15.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 1.3200000000000001 109.89 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -79.91 60.85 3.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 2.4700000000000002 109.418 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.748 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 20.2 p -67.54 -24.2 65.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.215 -0.902 . . . . 1.26 111.81 -174.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -85.09 -9.48 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 3.7000000000000002 110.231 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.455 ' CE3' ' HG2' ' A' ' 79' ' ' LYS . 11.9 m0 -88.42 156.27 19.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.88 110.124 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.764 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.7 p -89.74 169.98 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.576 -0.284 . . . . 1.0700000000000001 110.891 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.43 -45.43 84.65 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.047 0.451 . . . . 1.26 110.07 176.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.8 -42.7 99.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.494 -0.776 . . . . 1.49 111.109 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 32.4 tttp -73.15 -22.51 60.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 2.2999999999999998 110.775 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.9 t -83.54 -45.85 13.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.314 -0.403 . . . . 1.6399999999999999 110.425 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.13 -3.34 23.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.672 -0.775 . . . . 0.34999999999999998 112.706 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -80.63 127.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 1.1299999999999999 110.952 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -116.26 -175.95 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 2.7999999999999998 110.875 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.08 -11.79 61.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.361 0.504 . . . . 1.1799999999999999 112.361 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -83.56 -18.2 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 2.1400000000000001 111.023 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -74.2 133.74 42.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.999 0.428 . . . . 1.1499999999999999 111.666 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -83.69 109.89 17.85 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.121 -0.696 . . . . 2.1400000000000001 109.121 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 61' ' ' LEU . 14.0 tp -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.095 0.474 . . . . 1.1000000000000001 110.676 -173.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' HB3' ' HB3' ' A' ' 62' ' ' TRP . 22.2 tp -109.42 142.89 39.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.714 -0.675 . . . . 1.1100000000000001 109.497 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.635 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 14.0 t80 -114.96 110.74 20.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.52000000000000002 109.571 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.427 HG23 ' CZ3' ' A' ' 69' ' ' TRP . 1.8 t -141.26 150.95 60.14 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.096 -0.502 . . . . 1.1899999999999999 110.814 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.67 155.44 70.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.427 2.085 . . . . 1.4099999999999999 110.84 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -113.33 -23.86 9.66 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.986 -0.286 . . . . 2.1099999999999999 111.266 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 m80 61.63 41.91 11.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.159 0.504 . . . . 5.5 111.215 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 35.6 ttpt -115.32 105.19 12.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.705 -0.68 . . . . 7.4199999999999999 109.658 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.478 -0.772 . . . . 8.6400000000000006 110.149 178.812 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.627 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 11.3 p-90 . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 110.008 -0.367 . . . . 0.4 110.008 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 11.7 pt-20 -84.45 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.208 0.527 . . . . 2.4 110.014 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 51.8 tp -112.92 125.76 54.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.747 -0.66 . . . . 0.76 109.841 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.66 119.74 35.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.413 0.625 . . . . 0.96 110.014 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 58.9 t -111.42 115.1 48.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.472 -0.785 . . . . 0.31 109.771 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' O ' HD12 ' A' ' 89' ' ' LEU . 20.4 ttp180 -86.8 111.72 21.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 3.03 109.577 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 50' ' ' MET . 48.7 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.081 0.467 . . . . 0.46 110.936 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.623 ' HB2' HD11 ' A' ' 89' ' ' LEU . 24.7 t70 -97.05 103.89 15.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.678 -0.692 . . . . 0.89 109.205 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.99 109.543 -177.328 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.972 -0.381 . . . . 1.75 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 7.5 m -116.97 123.83 47.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.66 110.409 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.15 102.42 14.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.274 0.559 . . . . 2.34 110.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG21 ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -103.56 135.2 42.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.44 110.535 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -113.97 117.08 30.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 0.51 110.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.2 134.92 54.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.95 -0.568 . . . . 0.52 109.782 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 48.2 ttp180 -93.61 110.72 22.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.444 0.64 . . . . 3.71 109.564 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 77' ' ' LEU . 16.6 m -110.87 154.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.348 -0.842 . . . . 0.43 110.708 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -100.69 14.24 32.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.546 0.689 . . . . 1.52 111.57 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 -41.73 2.2 Favored Glycine 0 C--N 1.308 -0.995 0 CA-C-N 115.04 -0.982 . . . . 0.49 112.904 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.08 3.79 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 2.21 111.027 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 43.1 tp -78.32 128.02 33.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.3 109.586 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.907 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 18.9 p-80 -78.51 150.59 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.153 -0.219 . . . . 0.44 110.783 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.736 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.3 mm -53.08 -42.28 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 123.143 0.577 . . . . 0.26 112.52 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.56 64.84 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.083 -0.579 . . . . 0.27 112.839 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -70.85 -39.79 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.764 -0.731 . . . . 0.37 111.471 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 HD11 ' A' ' 77' ' ' LEU . 25.9 t -63.33 -43.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.31 110.03 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.8 mtp -55.06 -42.36 72.62 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.623 -0.717 . . . . 1.26 111.404 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.1 tp -67.0 -42.15 85.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 1.02 110.785 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 68.1 mttm -63.9 -35.87 82.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 1.22 111.795 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -58.07 -50.22 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.96 110.426 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -57.39 -39.11 66.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.992 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.84 -34.79 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 2.36 111.193 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 29' ' ' ILE . 14.3 mm100 -65.7 -52.55 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 1.34 111.886 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 18' ' ' VAL . 3.7 mpp? . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 120.61 -0.436 . . . . 1.03 110.833 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 40.8 p90 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.563 0.221 . . . . 4.26 111.232 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.63 178.62 5.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.119 -0.491 . . . . 0.66 110.51 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.3 mm? -96.87 139.92 32.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.158 0.504 . . . . 1.22 111.224 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -113.22 114.68 27.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.293 -0.867 . . . . 0.56 109.235 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.49 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 4.0 t90 -83.06 110.05 17.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.35 108.814 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.61 -43.15 81.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.835 0.35 . . . . 2.31 111.829 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.12 -2.13 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.518 0.562 . . . . 1.69 112.518 -172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.81 -11.83 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.741 0.305 . . . . 1.1 110.551 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 51.71 74.16 0.27 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.485 -0.78 . . . . 3.52 110.829 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 21.3 p -158.76 149.24 19.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.702 -0.681 . . . . 1.59 110.682 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -96.12 125.95 41.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.57 109.409 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -71.92 104.78 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.61 109.79 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.31 1.63 10.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.405 -0.816 . . . . 0.73 110.056 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -92.77 65.74 4.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.836 -0.802 . . . . 1.95 108.836 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 52.6 p -66.78 -25.09 66.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.784 -1.098 . . . . 0.64 110.658 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -79.08 -4.46 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.892 -1.049 . . . . 2.94 110.389 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -104.63 152.05 22.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.76 110.253 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.907 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 48.2 p -84.85 169.4 14.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.172 -0.467 . . . . 0.38 110.86 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 42' ' ' VAL . 5.9 mp -57.43 -47.17 82.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.62 110.621 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.89 -33.16 74.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.443 -0.799 . . . . 1.49 110.999 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -71.42 -40.77 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 1.69 110.652 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.91 -36.98 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.94 110.602 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.54 9.02 34.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.635 -0.793 . . . . 0.35 112.474 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.66 117.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.21 0.528 . . . . 0.33 110.63 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.627 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 51.8 mt-30 -131.15 -171.8 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.722 -0.672 . . . . 2.37 110.462 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.53 -13.13 60.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.457 0.54 . . . . 0.88 112.457 -172.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.96 -13.65 60.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.14 110.951 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 63' ' ' TRP . . . -111.93 149.9 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.474 . . . . 0.48 110.876 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -90.02 139.24 30.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.446 -0.576 . . . . 1.92 109.446 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 61' ' ' LEU . 15.7 tp -125.43 126.42 44.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.099 0.475 . . . . 0.35 110.518 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 19' ' ' ASP . 13.7 tp -103.44 131.38 50.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.39 109.415 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 74.5 t80 -103.6 109.93 21.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.286 -0.635 . . . . 0.4 109.286 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.3 t -141.88 138.75 17.34 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 116.27 -0.423 . . . . 0.6 110.294 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.617 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 17.0 Cg_exo -67.09 133.52 31.15 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.164 1.91 . . . . 1.04 111.284 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.293 0.568 . . . . 1.46 109.85 174.721 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 7.3 p-90 . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.221 -0.289 . . . . 0.4 110.221 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.67 117.49 22.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.644 0.735 . . . . 2.4 111.334 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 68.0 tp -114.44 134.3 55.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.885 -1.052 . . . . 0.76 109.69 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.09 119.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.392 0.615 . . . . 0.96 109.962 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -109.29 109.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.684 -0.689 . . . . 0.31 109.503 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 1.01 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 57.6 mtt180 -84.93 110.39 18.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 3.03 109.713 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 50' ' ' MET . 56.3 t -85.34 115.19 26.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.133 -0.485 . . . . 0.46 110.614 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.866 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.8 t70 -96.24 133.06 41.04 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.524 -0.762 . . . . 0.89 108.985 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 . . . . . 0 C--N 1.317 -0.828 0 CA-C-N 116.19 -0.459 . . . . 0.99 110.718 -173.17 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.1 mt-30 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.141 -0.688 . . . . 1.75 109.141 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -77.32 108.12 10.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.66 110.47 -172.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 1.01 ' HB3' ' HG2' ' A' ' 17' ' ' ARG . 7.8 pt-20 -99.22 106.99 19.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 2.34 110.724 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 49' ' ' GLN . 47.0 mm -100.93 132.58 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.964 -1.017 . . . . 0.44 110.019 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -98.46 102.14 13.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.69 139.36 41.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.52 109.767 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -93.54 109.38 20.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.64 0.733 . . . . 3.71 109.619 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.55 150.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.684 -1.144 . . . . 0.43 110.654 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.6 p -91.38 157.4 17.12 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.126 -0.488 . . . . 1.52 110.033 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -64.63 -19.36 64.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 0.49 112.348 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.36 13.53 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 2.21 111.331 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 50.9 tp -94.19 124.88 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.926 -0.398 . . . . 0.3 109.926 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 40.4 p-80 -80.61 151.3 29.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.44 111.118 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.721 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.1 mm -50.32 -46.28 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.54 0.736 . . . . 0.26 112.708 -175.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.61 75.48 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.805 -0.712 . . . . 0.27 112.303 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.82 -34.11 56.71 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.257 -0.737 . . . . 0.37 111.257 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -64.61 -44.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.355 -0.609 . . . . 0.31 109.355 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.404 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 73.0 mtp -54.15 -44.47 71.44 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.34 -0.845 . . . . 1.26 111.182 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.77 -41.81 87.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.62 -0.718 . . . . 1.02 110.444 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.41 -31.11 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.22 111.537 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' LEU . 2.0 mm? -62.27 -52.79 62.3 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.858 0.361 . . . . 0.96 110.16 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -55.36 -46.2 78.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.163 0.506 . . . . 0.65 110.397 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.3 -30.65 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.993 -1.003 . . . . 2.36 111.401 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG2' HG21 ' A' ' 29' ' ' ILE . 7.4 tp60 -73.92 -55.11 6.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.305 -0.407 . . . . 1.34 111.787 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.514 ' HE1' HG21 ' A' ' 18' ' ' VAL . 3.3 mpp? . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.44 0.533 . . . . 1.03 112.44 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.119 -0.326 . . . . 4.26 110.119 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.01 167.57 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.322 -0.399 . . . . 0.66 110.034 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.5 mm? -80.99 129.16 34.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.06 0.457 . . . . 1.22 110.336 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -103.66 115.11 29.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.085 -0.709 . . . . 0.56 109.085 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -81.43 109.17 15.66 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.549 -1.278 . . . . 0.35 107.549 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.52 -52.16 29.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.39 -0.823 . . . . 2.31 111.203 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.51 -32.13 72.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 1.69 111.975 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -90.54 -15.94 29.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.169 -0.212 . . . . 1.1 111.248 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 67' ' ' ARG . 13.5 mmt180 59.01 62.1 1.96 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.211 0.529 . . . . 3.52 110.626 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.45 148.04 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 1.59 110.903 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.547 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 93.2 m95 -96.32 128.81 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.975 -0.379 . . . . 0.57 109.975 177.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.6 mm? -83.6 103.16 12.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.429 -0.582 . . . . 0.61 109.429 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.3 mt -110.27 -5.75 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.096 -0.705 . . . . 0.73 109.096 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.95 66.44 4.4 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.973 -1.012 . . . . 1.95 109.046 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.721 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 19.6 p -67.03 -15.34 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.64 111.243 -175.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.94 -6.05 49.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.595 -0.729 . . . . 2.94 110.42 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.59 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 9.1 m0 -90.9 145.53 24.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.644 . . . . 0.76 110.058 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.3 p -88.49 166.19 14.36 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.932 -0.576 . . . . 0.38 110.669 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.54 -45.11 77.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.874 0.369 . . . . 0.62 110.512 177.248 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -43.28 93.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.55 -0.75 . . . . 1.49 110.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.6 tptt -72.43 -32.86 66.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 1.69 111.268 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 82' ' ' VAL . 69.5 m -75.92 -30.84 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.335 . . . . 0.94 110.907 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.31 7.48 58.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.35 112.425 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.8 p -86.26 119.88 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.547 . . . . 0.33 110.58 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.36 -170.28 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.327 -0.851 . . . . 2.37 110.86 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.37 -27.91 34.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 0.88 111.419 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.98 1.22 54.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 2.14 110.786 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.61 123.17 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.0 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -69.03 115.2 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.86 0.362 . . . . 1.92 110.324 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.632 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.5 tp -117.87 127.36 53.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.065 -0.516 . . . . 0.35 110.337 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.78 144.72 34.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.39 109.367 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 18' ' ' VAL . 8.8 t80 -120.05 106.36 11.92 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.4 109.128 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.866 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 13.0 t -143.89 152.28 55.02 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.862 -0.421 . . . . 0.6 109.862 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 59' ' ' TYR . 10.1 Cg_endo -54.56 137.27 72.87 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.477 2.118 . . . . 1.04 111.244 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 23.5 pt20 . . . . . 0 C--N 1.324 -0.529 0 C-N-CA 120.801 -0.36 . . . . 1.46 111.595 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.651 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.4 p-90 . . . . . 0 N--CA 1.443 -0.779 0 CA-C-O 120.818 0.342 . . . . 0.4 110.235 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.1 112.91 18.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.617 0.723 . . . . 2.4 110.701 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.5 tp -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.24 -0.891 . . . . 0.76 110.018 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 6.2 p -90.09 120.19 38.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.407 0.622 . . . . 0.96 109.737 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.4 t -119.4 131.28 72.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.743 -0.662 . . . . 0.31 109.413 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 79.5 mtp180 -96.22 116.8 29.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.017 0.436 . . . . 3.03 109.909 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 47.4 t -87.34 115.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.837 -0.62 . . . . 0.46 110.637 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.2 t70 -96.8 106.94 19.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.276 -0.638 . . . . 0.89 109.276 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 0.99 111.034 -174.461 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 45.3 mt-30 . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.843 0.354 . . . . 1.75 110.429 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 9.1 m -107.59 137.53 45.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.862 -0.608 . . . . 0.66 110.392 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.4 mp0 -98.41 112.14 24.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.873 0.368 . . . . 2.34 110.293 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.9 mm -111.31 140.15 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.44 110.089 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.8 m -121.11 108.48 13.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.51 110.714 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -109.16 133.84 52.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.953 -0.567 . . . . 0.52 110.401 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -91.07 108.2 19.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 3.71 109.076 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 162.59 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.366 -0.833 . . . . 0.43 111.075 -172.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -122.92 170.0 10.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.093 -0.706 . . . . 1.52 109.093 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.48 -14.61 62.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.079 -0.581 . . . . 0.49 113.429 -173.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.94 -15.37 59.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 2.21 111.145 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 40.2 tp -79.8 140.88 36.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.965 -0.383 . . . . 0.3 109.965 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 13.6 p80 -90.33 152.02 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.417 -0.356 . . . . 0.44 110.776 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.639 HG23 HD12 ' A' ' 61' ' ' LEU . 22.6 mm -51.96 -45.04 39.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.717 0.636 . . . . 0.26 112.717 -175.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.67 -33.25 66.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.917 -0.659 . . . . 0.27 112.857 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.59 72.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.939 -0.648 . . . . 0.37 111.572 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 HD11 ' A' ' 77' ' ' LEU . 41.9 t -64.54 -44.78 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.91 -0.404 . . . . 0.31 109.91 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.51 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.0 mtp -55.43 -37.84 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.578 -0.737 . . . . 1.26 111.371 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -40.13 71.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 1.02 110.708 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.02 -30.4 71.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.22 111.558 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -57.8 -53.16 61.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.646 0.26 . . . . 0.96 110.32 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -59.24 -40.89 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.774 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.03 -42.29 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 2.36 110.978 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 15.0 mm100 -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.34 112.224 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--N 1.328 -0.328 0 C-N-CA 120.587 -0.445 . . . . 1.03 110.768 177.126 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 1.5 p90 . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.313 -0.255 . . . . 4.26 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.59 169.38 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.365 0.416 . . . . 0.66 110.757 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 39' ' ' ILE . 75.7 mt -93.34 127.53 38.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.314 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -104.66 114.98 29.55 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.883 -0.598 . . . . 0.56 109.619 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -86.81 110.34 19.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.967 -0.753 . . . . 0.35 108.967 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.41 -34.23 76.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.762 0.315 . . . . 2.31 111.804 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -71.1 -32.64 69.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 1.69 111.703 -175.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -106.52 -20.41 13.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.642 -0.253 . . . . 1.1 111.048 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 57.89 82.87 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.607 0.718 . . . . 3.52 110.718 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -167.39 148.6 5.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.832 -1.077 . . . . 1.59 109.813 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 97.3 m95 -96.76 122.62 39.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.57 109.847 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -76.12 103.66 6.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.61 109.577 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.04 -5.56 10.51 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.277 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 75' ' ' TRP . 46.3 mmtm -78.82 70.42 5.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 1.95 108.948 171.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.4 p -68.99 -19.08 64.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.64 111.651 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.72 -12.05 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.661 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 12.8 m0 -80.48 142.25 34.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.76 110.558 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 45.7 p -82.88 164.82 20.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.054 -0.521 . . . . 0.38 110.523 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 ' CH2' ' A' ' 12' ' ' TRP . 5.5 mp -59.1 -41.16 87.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.62 110.624 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.8 -32.99 71.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.49 110.458 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.06 -43.67 78.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 1.69 110.426 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.7 m -72.18 -42.56 65.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.94 110.975 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.76 18.45 15.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.381 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.2 115.66 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.125 0.488 . . . . 0.33 110.383 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.5 mt-30 -121.07 -164.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.668 . . . . 2.37 110.843 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.9 -21.06 66.42 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.569 0.581 . . . . 0.88 112.569 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -95.5 10.95 34.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.871 0.367 . . . . 2.14 111.349 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.33 127.29 42.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.478 -0.328 . . . . 0.48 110.931 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -72.33 108.9 5.7 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.457 -0.571 . . . . 1.92 109.457 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 61' ' ' LEU . 20.3 tp -122.72 126.42 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.861 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 19' ' ' ASP . 22.0 tp -112.4 125.53 54.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.778 -0.646 . . . . 0.39 109.518 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 55.0 t80 -103.38 108.88 20.3 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.4 109.861 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.81 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.7 t -144.09 151.26 51.68 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.915 -0.584 . . . . 0.6 110.232 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 72.7 Cg_exo -51.16 124.71 14.57 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.123 1.882 . . . . 1.04 110.448 169.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.628 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 15.1 pt20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 1.46 111.69 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.1 p-90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.4 111.499 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -86.45 104.71 16.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.281 0.562 . . . . 2.4 111.027 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 tp -99.62 109.43 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.398 -0.819 . . . . 0.76 109.64 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.18 120.28 35.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.327 0.584 . . . . 0.96 110.117 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.423 HG22 HD23 ' A' ' 88' ' ' LEU . 41.0 t -111.59 121.88 64.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.756 -0.656 . . . . 0.31 109.939 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.894 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 87.0 mtt180 -81.98 112.17 18.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 3.03 109.945 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 38.7 t -89.89 116.86 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.224 -0.444 . . . . 0.46 110.492 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 17.8 t70 -111.78 137.44 49.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.744 -0.662 . . . . 0.89 109.744 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.119 -0.697 . . . . 0.99 109.119 178.53 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 73.9 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.205 0.526 . . . . 1.75 111.798 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -116.89 132.72 56.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.394 -0.821 . . . . 0.66 109.399 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.894 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 48.6 mt-10 -97.49 112.9 24.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.003 0.43 . . . . 2.34 110.684 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' A' ' 49' ' ' GLN . 38.1 mm -102.19 123.89 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.711 -0.677 . . . . 0.44 110.193 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -96.82 114.09 25.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.051 0.453 . . . . 0.51 110.148 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.15 140.13 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.52 110.628 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -93.23 108.68 20.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.16 -1.052 . . . . 3.71 108.16 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -128.62 150.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.113 0.483 . . . . 0.43 111.559 -172.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 p -98.07 154.48 17.69 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.511 -0.768 . . . . 1.52 109.928 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.84 70.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.767 . . . . 0.49 112.346 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.16 -4.8 46.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.975 0.417 . . . . 2.21 111.166 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.3 tp -79.61 131.99 36.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.779 -0.452 . . . . 0.3 109.779 176.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.795 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -82.29 150.11 27.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.228 -0.442 . . . . 0.44 110.438 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.641 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.2 mm -51.13 -46.71 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 113.078 0.77 . . . . 0.26 113.078 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.97 -28.64 63.9 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.736 -0.745 . . . . 0.27 112.426 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.13 -22.17 71.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.042 -0.599 . . . . 0.37 111.617 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 77' ' ' LEU . 46.4 t -77.85 -49.68 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.273 -0.64 . . . . 0.31 109.273 175.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 mtp -56.67 -38.36 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.411 -0.813 . . . . 1.26 111.098 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 tp -61.15 -38.43 86.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.674 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 62.4 mttp -67.56 -33.26 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 1.22 111.224 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.5 mm? -57.77 -49.84 75.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.708 0.289 . . . . 0.96 110.819 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.43 -36.7 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 0.65 110.24 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.9 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 2.36 111.711 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 27.9 mm-40 -62.07 -53.15 59.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.726 0.298 . . . . 1.34 111.788 -175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.645 -0.252 . . . . 1.03 110.993 -179.136 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 13.0 p90 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.673 0.273 . . . . 4.26 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB3' ' HB3' ' A' ' 93' ' ' GLN . . . -170.63 167.0 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.887 -0.597 . . . . 0.66 109.899 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -98.88 134.21 42.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.694 -0.484 . . . . 1.22 109.694 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -117.29 121.07 40.14 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.053 -0.521 . . . . 0.56 110.593 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.582 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.0 t90 -90.4 110.66 21.75 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.473 -0.936 . . . . 0.35 108.473 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.17 -46.91 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.252 -0.431 . . . . 2.31 110.854 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.45 -55.03 27.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 1.69 111.89 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.7 -11.09 59.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 1.1 111.667 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 53.3 76.78 0.19 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.763 0.664 . . . . 3.52 111.295 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.64 148.33 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 1.59 110.371 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -95.79 122.08 38.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.188 -1.041 . . . . 0.57 108.188 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.641 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -73.19 102.96 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.227 0.537 . . . . 0.61 110.009 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.11 10.42 15.0 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.76 -0.83 . . . . 0.73 108.76 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.27 63.81 8.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.852 -1.067 . . . . 1.95 108.624 175.185 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 p -69.23 -19.08 63.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.645 -0.707 . . . . 0.64 111.276 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -88.66 -10.52 48.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 2.94 110.062 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 31.7 m0 -93.83 147.74 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.068 -0.515 . . . . 0.76 110.571 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.795 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -91.64 169.6 10.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.694 -0.685 . . . . 0.38 110.962 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD11 HG21 ' A' ' 42' ' ' VAL . 6.1 mp -60.07 -37.78 80.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.62 111.263 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.55 -43.0 91.21 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.834 0.349 . . . . 1.49 110.897 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.16 -42.84 93.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 1.69 111.244 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -69.84 -36.36 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.02 0.438 . . . . 0.94 110.807 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.73 11.01 58.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.69 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.86 125.13 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.85 0.357 . . . . 0.33 110.049 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -120.23 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 2.37 110.889 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.04 -16.11 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.542 0.571 . . . . 0.88 112.542 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -95.5 4.55 53.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 2.14 110.801 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.91 129.84 34.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.364 -0.38 . . . . 0.48 111.351 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -74.56 108.34 7.25 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.095 -0.706 . . . . 1.92 109.095 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 61' ' ' LEU . 16.5 tp -119.35 130.22 55.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.849 -0.614 . . . . 0.35 110.752 -171.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 17' ' ' ARG . 31.2 tp -118.7 136.9 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.839 -0.619 . . . . 0.39 110.257 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -116.34 109.24 17.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.066 -0.716 . . . . 0.4 109.066 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 12.1 t -142.68 151.97 58.39 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.42 -174.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 83.4 Cg_exo -48.01 116.22 1.85 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.913 2.408 . . . . 1.04 112.371 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.1 pt20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.946 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.0 p-90 . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.753 -0.462 . . . . 0.4 109.753 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 115.64 21.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.673 0.749 . . . . 2.4 111.309 -174.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.8 tp -115.4 116.56 28.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.151 -0.931 . . . . 0.76 109.329 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 5.6 p -85.18 119.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.329 0.585 . . . . 0.96 110.284 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.45 122.86 70.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.654 -0.703 . . . . 0.31 109.826 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 89' ' ' LEU . 70.8 mtp180 -89.96 115.38 27.22 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.862 -0.421 . . . . 3.03 109.862 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 43.5 t -88.32 116.44 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.051 0.453 . . . . 0.46 111.12 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.828 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 23.1 t70 -102.12 120.33 40.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.502 -0.772 . . . . 0.89 109.731 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 108.968 -0.753 . . . . 0.99 108.968 178.148 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 82.0 mt-30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 120.938 0.399 . . . . 1.75 110.064 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 20.2 m -105.78 138.24 42.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.66 110.333 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.0 mp0 -97.14 103.15 15.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.034 0.445 . . . . 2.34 109.919 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.97 109.73 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.907 -0.588 . . . . 0.44 110.436 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.2 m -91.66 113.23 25.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.51 109.541 177.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 45' ' ' LYS . 91.1 mt -110.53 144.33 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.252 -0.431 . . . . 0.52 110.344 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.74 110.01 21.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.936 -0.764 . . . . 3.71 108.936 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.5 m -123.5 158.62 28.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.329 -0.85 . . . . 0.43 110.768 -173.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 m -106.06 157.19 17.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.256 -0.429 . . . . 1.52 110.156 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 -18.35 73.13 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.695 -0.764 . . . . 0.49 111.366 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.33 -21.03 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.14 -0.53 . . . . 2.21 110.417 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.3 tp -75.54 143.17 42.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.819 -0.628 . . . . 0.3 109.998 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 39.9 p-80 -92.22 156.65 17.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.203 -0.295 . . . . 0.44 110.203 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 16.8 mm -54.64 -39.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.767 0.427 . . . . 0.26 112.15 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.27 68.45 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.06 -0.591 . . . . 0.27 112.24 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -74.84 -32.63 56.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.936 -0.649 . . . . 0.37 111.538 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 77' ' ' LEU . 32.7 t -65.04 -44.25 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.31 109.64 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.485 ' HE3' HG22 ' A' ' 73' ' ' THR . 63.9 mtt -54.34 -49.45 69.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.822 -0.626 . . . . 1.26 110.288 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -55.24 -44.75 75.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.991 -1.004 . . . . 1.02 110.988 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 31' ' ' LEU . 65.8 mttm -64.11 -38.28 90.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.37 -0.377 . . . . 1.22 111.948 -177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 18' ' ' VAL . 2.9 mm? -61.89 -44.8 96.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.96 110.521 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.0 -41.3 87.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.42 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.2 -48.35 76.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.826 -0.625 . . . . 2.36 111.291 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 49' ' ' GLN . 6.5 tp60 -61.02 -53.76 53.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 1.34 111.65 -173.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.463 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 46.1 mtm . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 1.03 110.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.725 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 25.1 p90 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.399 -0.223 . . . . 4.26 110.399 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 43' ' ' MET . . . -155.08 167.2 31.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.327 . . . . 0.66 111.173 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.4 mm? -93.01 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 1.22 110.819 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 32.9 t-105 -111.9 112.39 24.01 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.464 -0.789 . . . . 0.56 109.358 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.566 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -82.97 110.26 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 0.35 108.586 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -68.68 -41.17 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.67 0.271 . . . . 2.31 111.601 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.78 -17.72 64.08 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.955 0.354 . . . . 1.69 111.955 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -110.72 -25.15 10.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.73 0.3 . . . . 1.1 110.649 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 59.37 72.72 0.51 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.528 -0.76 . . . . 3.52 109.757 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -159.12 150.09 19.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.47 -0.786 . . . . 1.59 110.147 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -96.42 124.74 40.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.618 -0.512 . . . . 0.57 109.618 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.5 mm? -77.09 104.84 7.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.61 109.846 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.7 mt -107.26 -15.91 14.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.73 111.382 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -78.83 75.5 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.109 0.956 . . . . 1.95 109.454 173.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 59.4 p -68.16 -34.22 75.91 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.663 -1.153 . . . . 0.64 111.905 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -83.85 -0.14 49.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.898 -0.321 . . . . 2.94 111.499 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -84.8 137.68 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.096 -0.705 . . . . 0.76 109.096 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.852 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 78.1 p -73.83 163.34 28.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.38 110.752 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.2 mp -57.88 -41.32 82.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.976 -0.556 . . . . 0.62 110.85 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.6 -37.6 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.372 . . . . 1.49 110.593 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -62.86 -34.49 77.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 1.69 110.619 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.73 -42.93 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.476 . . . . 0.94 110.679 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.42 -1.91 32.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.35 112.321 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 86' ' ' ALA . 2.2 p -79.03 113.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.242 0.544 . . . . 0.33 110.442 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -112.22 -169.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.797 -0.638 . . . . 2.37 110.859 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.98 44.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.552 0.575 . . . . 0.88 112.552 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.03 -1.8 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.803 0.335 . . . . 2.14 110.796 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -91.25 136.84 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.988 0.423 . . . . 0.48 111.419 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -84.7 114.97 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.912 -0.773 . . . . 1.92 108.912 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.77 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.0 tp -121.86 128.08 51.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 0.35 111.335 -172.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 17' ' ' ARG . 14.4 tp -109.23 143.57 38.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 0.39 109.064 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 33.9 t80 -120.82 108.57 14.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.052 0.453 . . . . 0.4 110.317 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.828 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.32 147.23 39.42 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.966 -0.753 . . . . 0.6 108.966 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.725 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 78.1 Cg_exo -51.48 139.56 46.2 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.112 1.875 . . . . 1.04 111.479 173.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 122.128 0.966 . . . . 1.46 110.319 -178.013 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 9.2 p-90 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 120.956 0.408 . . . . 0.4 110.377 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.88 105.67 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.547 . . . . 2.4 111.503 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.5 tp -100.16 117.84 35.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.601 -0.727 . . . . 0.76 109.741 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.77 118.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.553 0.692 . . . . 0.96 110.113 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.05 123.69 71.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.238 -0.892 . . . . 0.31 109.124 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 89' ' ' LEU . 57.0 ttt180 -93.99 118.77 31.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.696 -0.483 . . . . 3.03 109.696 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 ' HD2' ' A' ' 90' ' ' PHE . 37.0 t -85.42 121.62 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.256 -0.429 . . . . 0.46 110.577 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.864 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 22.9 t70 -97.12 124.82 41.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.915 -0.772 . . . . 0.89 108.915 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.326 -0.397 . . . . 0.99 111.675 -169.67 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.349 -0.612 . . . . 1.75 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -121.2 130.74 53.85 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.594 -0.275 . . . . 0.66 110.84 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.49 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.47 -0.567 . . . . 2.34 109.47 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.438 HG22 ' HG ' ' A' ' 31' ' ' LEU . 46.6 mm -101.65 123.86 55.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.83 -0.623 . . . . 0.44 111.254 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -97.94 107.08 19.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.019 -0.537 . . . . 0.51 109.974 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HG ' HG22 ' A' ' 29' ' ' ILE . 90.5 mt -107.12 133.8 51.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.214 -0.448 . . . . 0.52 110.187 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -91.82 108.47 19.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.691 -0.855 . . . . 3.71 108.691 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.35 146.37 33.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.43 111.29 -172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -92.73 154.15 18.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.747 -0.66 . . . . 1.52 109.302 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -58.78 -26.62 60.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.084 -0.579 . . . . 0.49 112.98 -176.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.31 15.06 14.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.694 0.283 . . . . 2.21 111.763 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 tp -85.76 126.59 34.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.518 . . . . 0.3 109.603 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.4 p-80 -76.17 146.74 38.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.44 111.116 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 70' ' ' LEU . 16.6 mm -52.22 -43.21 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.382 0.673 . . . . 0.26 112.191 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.56 60.6 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.766 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -79.57 -37.22 24.16 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.383 -0.687 . . . . 0.37 111.383 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.19 -43.29 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.549 -0.538 . . . . 0.31 109.549 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.459 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 73.0 mtp -54.01 -41.87 68.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.359 -0.837 . . . . 1.26 111.544 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.34 -36.58 79.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.4 . . . . 1.02 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.608 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.2 mttt -65.66 -32.4 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.248 -176.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -59.0 -52.34 66.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.37 . . . . 0.96 110.157 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.52 -41.53 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.65 110.79 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.89 -32.13 73.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.855 -0.611 . . . . 2.36 111.591 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 15.2 mm100 -66.57 -54.15 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 1.34 111.782 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 C--N 1.328 -0.33 0 C-N-CA 121.027 -0.269 . . . . 1.03 111.02 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.4 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.447 0.165 . . . . 4.26 110.628 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.15 170.91 7.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.66 110.281 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.797 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.0 mm? -91.98 125.81 36.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 1.22 111.117 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.405 ' HD1' ' HB3' ' A' ' 89' ' ' LEU . 41.6 t-105 -102.99 111.2 23.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.56 109.573 175.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -82.79 108.63 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.098 -1.075 . . . . 0.35 108.098 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.75 -35.61 75.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.439 -171.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 91.9 mt-30 -68.02 -45.78 73.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 1.69 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 70.9 mmtt -96.09 -1.52 48.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.059 -0.256 . . . . 1.1 111.156 -175.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 54.14 53.17 11.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.024 -0.534 . . . . 3.52 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.6 p -142.24 148.07 37.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.391 . . . . 1.59 111.272 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.9 132.49 43.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.074 -0.512 . . . . 0.57 109.793 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.5 mm? -82.63 103.19 11.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.173 -0.677 . . . . 0.61 109.173 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -115.22 -11.6 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.008 -0.542 . . . . 0.73 110.924 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.86 79.49 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.631 -0.877 . . . . 1.95 108.631 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.422 HG22 ' SD ' ' A' ' 43' ' ' MET . 18.8 p -67.54 -19.52 65.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.372 -0.831 . . . . 0.64 112.54 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -86.01 -17.42 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 2.94 110.494 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -77.0 149.23 35.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.386 -0.37 . . . . 0.76 110.221 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 60.0 p -95.0 174.29 7.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.251 -0.431 . . . . 0.38 110.77 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -41.63 90.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.17 0.51 . . . . 0.62 109.646 173.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.73 -37.41 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.128 -0.942 . . . . 1.49 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -69.1 -42.6 75.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 1.69 110.627 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.37 -34.89 63.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.94 111.065 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.47 20.88 25.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.35 112.525 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.36 127.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.33 110.58 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -109.7 -179.62 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.766 -0.652 . . . . 2.37 110.104 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.18 66.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.088 0.471 . . . . 0.88 110.962 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -83.61 19.76 1.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.779 -0.646 . . . . 2.14 111.074 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.04 136.4 49.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.891 0.377 . . . . 0.48 111.077 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 2.8 m-20 -71.91 96.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 1.92 109.58 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.797 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.4 tp -110.77 116.21 30.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.172 0.511 . . . . 0.35 110.166 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.3 tp -108.02 130.21 55.08 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.466 -0.788 . . . . 0.39 109.28 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.659 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 63.1 t80 -103.27 107.62 18.52 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.462 -0.57 . . . . 0.4 109.462 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.864 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -144.32 151.36 51.09 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 0.6 110.212 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.12 144.59 89.79 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.733 2.288 . . . . 1.04 111.789 172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 1.46 111.224 -175.216 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 17.6 p-90 . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 120.769 0.318 . . . . 0.4 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.17 115.36 27.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.172 0.51 . . . . 2.4 110.606 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 55.8 tp -94.72 125.23 39.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.76 110.054 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 p -93.36 119.48 41.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.493 0.663 . . . . 0.96 109.837 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 46' ' ' LEU . 61.9 t -122.58 127.03 74.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.717 -0.674 . . . . 0.31 109.755 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 89' ' ' LEU . 77.8 mtp180 -95.96 120.05 35.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.318 -0.623 . . . . 3.03 109.318 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 90' ' ' PHE . 54.9 t -90.89 130.95 39.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.883 -0.598 . . . . 0.46 111.329 -175.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.616 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 14.4 t70 -97.75 131.18 44.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.727 -0.842 . . . . 0.89 108.727 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--N 1.317 -0.805 0 C-N-CA 120.833 -0.347 . . . . 0.99 110.897 -176.094 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 . . . . . 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.294 . . . . 1.75 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -99.25 135.51 40.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.039 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.5 mp0 -97.31 109.0 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 2.34 110.425 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.621 HG23 ' HG2' ' A' ' 49' ' ' GLN . 46.5 mm -106.64 136.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.498 -0.774 . . . . 0.44 110.202 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m -120.21 105.34 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.035 0.445 . . . . 0.51 110.133 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 49' ' ' GLN . 94.8 mt -110.57 144.64 39.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.52 110.828 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -92.57 109.29 20.7 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.017 -0.735 . . . . 3.71 109.017 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.86 147.48 20.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.097 0.475 . . . . 0.43 111.155 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -99.52 157.94 16.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.69 -0.686 . . . . 1.52 109.94 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -25.85 63.87 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.128 -0.558 . . . . 0.49 112.34 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -99.96 22.43 11.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.417 0.627 . . . . 2.21 110.541 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.71 121.04 39.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.624 -0.51 . . . . 0.3 109.624 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.3 p-80 -77.24 149.94 35.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.44 111.413 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 75' ' ' TRP . 15.5 mm -53.81 -40.1 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 115.737 -0.665 . . . . 0.26 111.886 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.8 -31.28 60.75 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.156 -0.545 . . . . 0.27 112.598 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.43 -38.21 29.34 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.273 -0.731 . . . . 0.37 111.273 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.91 -42.35 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.631 -0.507 . . . . 0.31 109.631 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' HG22 ' A' ' 73' ' ' THR . 74.3 mtp -52.4 -50.56 62.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.697 -0.683 . . . . 1.26 111.326 177.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.35 -37.85 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 1.02 110.879 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 36.9 mttp -66.75 -30.68 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 1.22 111.809 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.1 mm? -58.17 -48.68 79.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.96 109.945 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.98 -41.37 89.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.65 110.319 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 34.3 tt0 -60.28 -45.26 93.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 2.36 111.525 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' HG2' HG23 ' A' ' 29' ' ' ILE . 56.6 tp60 -64.7 -38.37 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.888 -0.597 . . . . 1.34 111.152 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.9 mtm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 1.03 111.062 179.588 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 30.2 p90 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.36 -0.237 . . . . 4.26 110.36 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.59 174.79 14.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.745 0.307 . . . . 0.66 110.702 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.9 mm? -94.38 133.35 38.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.254 0.549 . . . . 1.22 111.09 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -110.58 110.66 21.45 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.56 109.166 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.82 108.74 16.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.888 -1.153 . . . . 0.35 107.888 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -67.64 -40.07 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 2.31 110.925 -172.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.31 -23.14 64.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.808 -0.633 . . . . 1.69 111.491 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -104.81 -13.92 15.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.556 -0.293 . . . . 1.1 110.924 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 57.05 41.78 26.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.316 0.579 . . . . 3.52 110.154 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -131.38 149.3 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.339 -0.846 . . . . 1.59 110.868 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 93' ' ' GLN . 88.7 m95 -95.7 135.75 36.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 0.57 109.235 176.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.78 104.26 13.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.001 0.429 . . . . 0.61 110.145 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -111.49 -1.37 15.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.757 -0.656 . . . . 0.73 109.528 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HD3' ' CE3' ' A' ' 75' ' ' TRP . 51.1 mttp -80.31 69.46 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.181 -0.918 . . . . 1.95 109.273 174.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.424 HG22 ' SD ' ' A' ' 43' ' ' MET . 34.0 p -65.19 -31.37 72.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.089 -0.96 . . . . 0.64 111.88 -173.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -85.33 -11.47 54.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 2.94 110.623 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.456 ' CE3' ' HD3' ' A' ' 72' ' ' LYS . 15.6 m0 -85.72 151.81 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.505 . . . . 0.76 109.887 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.5 p -94.23 175.9 6.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.628 -0.26 . . . . 0.38 111.088 -176.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -48.21 82.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.155 0.503 . . . . 0.62 109.884 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.48 -39.38 94.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.455 -0.793 . . . . 1.49 110.663 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 58.6 tptt -67.03 -39.23 86.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 1.69 111.262 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.83 -37.18 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.94 111.136 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.67 5.76 41.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.35 112.665 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.38 131.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.957 0.408 . . . . 0.33 110.449 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.56 -175.54 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.618 . . . . 2.37 110.268 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.0 65.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.43 . . . . 0.88 111.578 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.93 -16.23 55.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 2.14 111.197 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.31 137.33 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.448 -0.342 . . . . 0.48 111.453 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -74.79 107.94 7.21 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.072 -0.513 . . . . 1.92 110.049 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.682 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.9 tp -113.71 125.81 54.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.35 110.507 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.4 tp -104.99 137.62 42.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.774 -0.648 . . . . 0.39 109.532 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 61.3 t80 -109.22 109.7 20.71 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.524 -0.47 . . . . 0.4 109.882 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 6.5 t -142.67 142.14 22.13 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.262 -0.427 . . . . 0.6 110.447 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 55.9 Cg_endo -72.87 134.47 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.202 1.935 . . . . 1.04 111.804 174.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 69' ' ' TRP . 9.6 pt20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 121.44 0.638 . . . . 1.46 109.846 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CH2' HD23 ' A' ' 77' ' ' LEU . 5.4 p-90 . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 109.613 -0.514 . . . . 0.4 109.613 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HB2' HG22 ' A' ' 30' ' ' THR . 12.3 pt-20 -88.55 122.82 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.559 0.695 . . . . 2.4 110.543 -177.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' HA ' ' A' ' 84' ' ' ALA . 65.1 tp -111.86 118.0 34.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.081 -0.963 . . . . 0.76 110.146 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 28' ' ' GLU . 3.0 p -82.4 119.09 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.428 0.632 . . . . 0.96 109.981 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.605 ' HB ' HD21 ' A' ' 46' ' ' LEU . 41.1 t -106.16 122.23 59.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.31 109.2 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.3 mpt_? -81.68 111.32 17.84 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.147 -0.686 . . . . 3.03 109.147 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.547 ' HB ' ' HB ' ' A' ' 27' ' ' THR . 42.6 t -94.9 113.29 29.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 120.902 0.382 . . . . 0.46 110.966 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 125.36 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.965 -0.561 . . . . 0.89 109.553 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 120.224 -0.59 . . . . 0.99 110.323 -178.386 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.438 -1.046 0 CA-C-O 121.124 0.488 . . . . 1.75 109.699 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.547 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 21.6 m -86.74 141.56 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.535 -0.757 . . . . 0.66 110.902 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 15' ' ' VAL . 21.7 tt0 -98.65 110.66 23.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.027 0.442 . . . . 2.34 109.845 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.46 104.37 16.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.44 109.324 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 6.7 m -96.09 107.06 19.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.777 -0.647 . . . . 0.51 109.899 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.071 -0.513 . . . . 0.52 110.368 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.599 -1.26 . . . . 3.71 107.599 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.8 m -131.24 164.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.225 0.536 . . . . 0.43 111.85 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -126.91 157.21 40.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.52 109.743 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.66 ' HA3' ' OD2' ' A' ' 78' ' ' ASP . . . -61.87 -19.39 58.63 Favored Glycine 0 N--CA 1.454 -0.149 0 C-N-CA 121.151 -0.547 . . . . 0.49 113.562 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.75 -3.92 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.681 0.276 . . . . 2.21 111.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 77' ' ' LEU . 54.3 tp -83.63 139.09 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.681 -0.489 . . . . 0.3 109.681 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 45.6 p-80 -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.78 0.324 . . . . 0.44 111.115 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.0 mm -54.11 -41.78 52.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.561 -0.745 . . . . 0.26 112.593 -175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -31.11 66.3 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.992 -0.623 . . . . 0.27 112.349 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.42 -40.76 47.25 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.266 -0.733 . . . . 0.37 111.266 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 77' ' ' LEU . 41.4 t -61.32 -44.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.31 109.983 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.642 ' HA ' HD12 ' A' ' 46' ' ' LEU . 64.0 mtp -60.23 -39.44 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.485 -0.779 . . . . 1.26 110.941 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -71.25 -43.31 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 1.02 110.787 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.77 -28.52 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 1.22 111.192 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 43' ' ' MET . 42.7 mt -62.27 -51.67 66.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.339 -0.391 . . . . 0.96 110.897 176.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.54 -39.08 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.65 110.262 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.7 -43.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.803 -0.635 . . . . 2.36 110.608 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -66.19 -46.65 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.624 . . . . 1.34 110.537 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 C--O 1.233 0.214 0 CA-C-N 116.055 -0.521 . . . . 1.03 110.763 179.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 5.5 p90 . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 122.107 0.956 . . . . 4.26 112.906 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.26 159.67 40.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.66 110.634 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 88' ' ' LEU . 22.3 tp -92.75 141.83 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.559 -0.534 . . . . 1.22 109.559 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -123.91 123.0 39.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.091 0.472 . . . . 0.56 110.633 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.447 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.4 t90 -89.08 110.46 21.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.108 -0.701 . . . . 0.35 109.108 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.89 -35.83 79.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 2.31 111.727 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.748 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 87.6 mt-30 -84.84 3.48 37.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.57 -0.286 . . . . 1.69 111.712 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.7 -30.53 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.151 -0.22 . . . . 1.1 111.495 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 64.87 80.32 0.23 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.287 0.565 . . . . 3.52 110.291 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -168.76 148.19 4.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 1.59 109.831 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -96.04 122.63 39.07 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.57 109.002 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.8 mm? -75.49 103.5 5.65 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.552 -0.536 . . . . 0.61 109.552 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -108.16 -2.01 19.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.392 -0.966 . . . . 0.73 108.392 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 88.1 mttt -76.93 59.54 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.348 -1.296 . . . . 1.95 109.343 174.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -67.85 -25.46 65.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.64 111.374 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -89.67 0.39 56.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 2.94 110.688 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 11.4 m0 -92.39 144.19 25.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.76 109.367 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 53.9 p -84.82 169.75 13.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.945 0.402 . . . . 0.38 111.222 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD11 HG21 ' A' ' 42' ' ' VAL . 4.9 mp -58.07 -48.84 78.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.245 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.66 ' OD2' ' HA3' ' A' ' 35' ' ' GLY . 1.9 m-20 -70.53 -30.01 66.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.493 -0.322 . . . . 1.49 110.945 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 56.0 tptt -64.55 -40.99 96.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.98 0.419 . . . . 1.69 110.401 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -79.14 -33.16 44.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.94 110.61 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.66 20.02 20.7 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.684 -0.769 . . . . 0.35 112.415 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.34 118.54 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.33 110.576 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -105.93 -173.0 2.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.451 -0.795 . . . . 2.37 110.877 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -71.67 -30.25 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.411 . . . . 0.88 110.839 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.41 44.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.805 0.812 . . . . 2.14 109.867 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.54 127.6 37.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.302 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.748 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 5.1 m-20 -65.21 110.85 2.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.271 -0.422 . . . . 1.92 110.016 177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 61' ' ' LEU . 20.5 tp -123.79 127.04 47.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.48 -174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' ARG . 25.3 tp -115.47 148.51 39.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.653 -0.703 . . . . 0.39 109.698 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -125.97 110.83 14.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.247 -0.649 . . . . 0.4 109.247 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -141.52 140.3 20.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.986 -0.552 . . . . 0.6 110.13 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 34.5 Cg_endo -65.79 132.62 31.1 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.243 1.962 . . . . 1.04 111.621 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.418 0.628 . . . . 1.46 110.267 179.539 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.682 ' CH2' HD23 ' A' ' 77' ' ' LEU . 3.8 p-90 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.879 0.371 . . . . 0.4 111.541 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -81.58 110.53 17.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 2.4 111.167 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.6 tp -104.21 119.59 39.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.117 -0.697 . . . . 0.76 109.117 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -92.22 119.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.616 0.722 . . . . 0.96 109.994 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.586 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 57.0 t -116.09 112.69 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.469 -0.787 . . . . 0.31 109.337 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.746 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 39.3 mtm180 -87.28 111.55 21.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.011 -0.54 . . . . 3.03 110.093 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.7 t -83.17 112.03 20.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.762 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.35 105.32 17.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.485 -0.78 . . . . 0.89 109.583 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.01 -0.541 . . . . 0.99 109.748 -179.032 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.14 0.495 . . . . 1.75 110.252 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 26.6 m -78.41 128.04 33.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.54 -0.755 . . . . 0.66 110.286 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.4 mt-10 -97.7 101.1 12.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.164 0.506 . . . . 2.34 110.493 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.4 mm -96.85 122.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.509 -0.768 . . . . 0.44 110.181 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m -100.0 102.92 14.42 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.168 -0.469 . . . . 0.51 109.905 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' HG22 ' A' ' 29' ' ' ILE . 91.0 mt -104.4 140.55 37.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.24 -0.436 . . . . 0.52 110.541 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 32' ' ' ARG . 37.8 ttp180 -95.61 107.9 20.13 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.937 -0.764 . . . . 3.71 108.937 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.4 159.39 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.874 -0.603 . . . . 0.43 111.406 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -115.4 162.04 17.7 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.457 -0.571 . . . . 1.52 109.457 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -61.51 -25.83 65.69 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.401 -0.428 . . . . 0.49 114.167 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.82 -7.08 50.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.181 0.491 . . . . 2.21 111.82 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.5 tp -79.03 137.03 37.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.498 -0.556 . . . . 0.3 109.498 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -85.55 150.11 24.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.178 -0.209 . . . . 0.44 110.594 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.766 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.6 mm -54.32 -38.8 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 122.941 0.497 . . . . 0.26 112.162 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.63 -30.05 71.28 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.812 -0.709 . . . . 0.27 112.235 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.77 -35.44 54.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.209 -0.756 . . . . 0.37 111.209 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 77' ' ' LEU . 42.0 t -63.04 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.54 -0.541 . . . . 0.31 109.54 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.754 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 52.6 ttm -54.1 -47.37 71.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.573 -0.739 . . . . 1.26 110.612 177.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.9 -38.97 93.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.894 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.22 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.452 -0.34 . . . . 1.22 111.776 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.3 mm? -62.42 -46.84 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.96 110.269 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.97 -41.24 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.077 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.27 -38.34 83.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 2.36 111.399 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' HG23 ' A' ' 29' ' ' ILE . 60.5 tp60 -72.5 -31.75 65.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.292 -0.413 . . . . 1.34 111.598 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 C--N 1.324 -0.526 0 C-N-CA 120.845 -0.342 . . . . 1.03 111.709 -177.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.252 0.093 . . . . 4.26 111.252 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -156.33 175.65 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 0.66 111.576 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.3 mm? -91.77 142.14 27.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.923 -0.581 . . . . 1.22 110.998 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.409 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 22.3 t-105 -118.75 118.93 32.92 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.492 -0.776 . . . . 0.56 109.089 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.527 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -82.19 110.22 17.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.093 -1.077 . . . . 0.35 108.093 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.76 -36.62 80.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.575 -0.739 . . . . 2.31 111.543 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -74.09 -31.03 62.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.998 -0.546 . . . . 1.69 111.741 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 74.9 mmtt -103.35 -11.19 18.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.1 110.776 -175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 58.6 mtp180 58.06 55.0 5.5 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.385 0.612 . . . . 3.52 110.558 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.0 p -145.73 151.58 38.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 1.59 110.566 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -94.48 132.52 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.35 -0.611 . . . . 0.57 109.35 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.4 mm? -82.37 103.16 11.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.093 0.473 . . . . 0.61 109.747 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.2 mt -103.33 4.39 36.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.61 -0.885 . . . . 0.73 108.61 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 60.8 mttp -85.35 51.45 2.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.395 -1.275 . . . . 1.95 109.577 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.766 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 23.7 p -67.5 -27.46 67.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.64 111.464 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.17 -15.14 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.326 0.584 . . . . 2.94 110.156 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 8.9 m0 -87.0 151.64 23.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.769 -0.65 . . . . 0.76 109.638 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.887 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.8 p -85.48 166.64 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.385 -0.37 . . . . 0.38 111.049 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -58.14 -43.17 87.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 0.62 110.435 176.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.4 -33.98 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 1.49 110.695 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -67.92 -44.84 75.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.69 110.354 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.23 -52.4 23.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.94 111.065 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.44 5.41 12.75 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.582 -0.818 . . . . 0.35 112.687 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.84 114.99 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.183 0.516 . . . . 0.33 110.311 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.0 -166.6 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.766 -0.652 . . . . 2.37 111.215 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 12' ' ' TRP . . . -61.73 -32.67 72.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.921 0.711 . . . . 0.88 112.921 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -80.36 2.12 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.599 0.238 . . . . 2.14 111.614 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.2 127.38 41.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.029 0.442 . . . . 0.48 112.011 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.38 116.63 14.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.74 -0.663 . . . . 1.92 109.927 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.2 tp -116.94 131.03 57.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.125 0.488 . . . . 0.35 110.375 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 17' ' ' ARG . 21.8 tp -111.36 137.17 49.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.39 109.473 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.754 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 2.8 t80 -110.14 107.55 17.41 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.4 108.805 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 t -144.5 150.08 46.29 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.453 -0.34 . . . . 0.6 110.477 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.37 133.73 16.39 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.918 1.745 . . . . 1.04 111.666 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.058 0.456 . . . . 1.46 110.625 179.618 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 5.0 p-90 . . . . . 0 N--CA 1.442 -0.843 0 CA-C-O 120.808 0.337 . . . . 0.4 110.658 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER -83.78 124.67 31.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.413 0.625 . . . . 2.4 110.379 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 84' ' ' ALA . 54.7 tp -119.48 119.55 34.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.306 -0.861 . . . . 0.76 109.889 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 7.5 p -85.36 120.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.324 0.583 . . . . 0.96 109.48 174.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 46' ' ' LEU . 47.5 t -111.17 126.59 68.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.774 -0.648 . . . . 0.31 109.592 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HD12 ' A' ' 89' ' ' LEU . 83.3 mtp180 -86.93 112.14 21.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.209 -0.451 . . . . 3.03 110.119 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' PHE . 61.7 t -85.45 115.56 27.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.46 110.178 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.8 t70 -96.47 104.15 16.11 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.324 -0.621 . . . . 0.89 109.324 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.575 -0.528 . . . . 0.99 109.575 179.58 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 108.87 -0.789 . . . . 1.75 108.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 m -88.42 124.82 34.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.159 -0.473 . . . . 0.66 110.766 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.11 120.94 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.366 0.603 . . . . 2.34 109.592 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.544 HG22 ' HG ' ' A' ' 31' ' ' LEU . 50.0 mm -116.24 120.81 65.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.48 -0.782 . . . . 0.44 110.466 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 26.1 m -100.86 103.78 14.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.51 110.218 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HG ' HG22 ' A' ' 29' ' ' ILE . 82.6 mt -111.45 140.77 45.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.865 -0.607 . . . . 0.52 109.654 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 36.8 ttm180 -91.91 113.44 25.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.042 -0.725 . . . . 3.71 109.042 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.29 149.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.244 -0.889 . . . . 0.43 110.533 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -98.25 157.69 16.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.746 -0.661 . . . . 1.52 109.753 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -62.15 -25.53 66.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.888 -0.672 . . . . 0.49 112.861 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.09 10.68 28.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.635 0.255 . . . . 2.21 111.518 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 56.4 tp -89.48 124.5 34.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.3 110.206 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.3 p-80 -80.34 150.85 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.073 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.532 HG21 ' HB3' ' A' ' 70' ' ' LEU . 18.5 mm -50.27 -44.81 23.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.745 0.818 . . . . 0.26 112.447 -175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.71 -34.09 75.49 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.817 -0.706 . . . . 0.27 112.587 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.03 61.61 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.343 -0.703 . . . . 0.37 111.343 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.98 -48.28 79.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.548 -0.538 . . . . 0.31 109.548 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.8 mtp -55.93 -42.47 76.15 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.509 -0.768 . . . . 1.26 111.423 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.81 -42.08 95.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.972 -0.558 . . . . 1.02 110.59 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.48 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.455 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.1 mm? -59.37 -52.12 66.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.796 0.332 . . . . 0.96 110.434 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.69 -43.29 98.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.65 110.567 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -65.14 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 2.36 111.319 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.6 tp60 -60.44 -50.27 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 1.34 110.692 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.5 mtm . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.03 110.124 178.084 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 25.5 p90 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 110.22 -0.289 . . . . 4.26 110.22 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.68 159.91 41.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 0.66 110.892 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 11.8 tp -93.24 133.76 36.13 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.83 -0.623 . . . . 1.22 109.752 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -113.34 122.7 48.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.083 -0.508 . . . . 0.56 110.648 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.497 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -96.08 109.76 22.12 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.686 -0.857 . . . . 0.35 108.686 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 2.31 111.608 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.99 -4.94 38.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 1.69 111.814 -172.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -123.47 -12.62 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.137 -0.32 . . . . 1.1 110.137 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 51.04 65.73 1.39 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.598 -0.728 . . . . 3.52 110.339 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -148.65 148.05 29.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.394 -0.821 . . . . 1.59 110.404 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 84.8 m95 -96.77 126.58 42.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.57 108.797 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HB3' HG21 ' A' ' 39' ' ' ILE . 4.0 mm? -70.87 103.48 2.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.249 0.547 . . . . 0.61 110.033 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -109.91 4.07 21.18 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.623 -0.88 . . . . 0.73 108.623 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 43.0 mmtm -86.96 56.37 3.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.566 -1.197 . . . . 1.95 108.735 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.51 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 17.6 p -62.13 -25.99 68.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.549 -0.751 . . . . 0.64 112.166 -172.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -84.1 -16.07 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 2.94 110.615 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.462 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.6 m0 -79.54 149.27 31.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.76 109.937 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.728 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.5 p -89.79 173.09 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.696 -0.229 . . . . 0.38 110.503 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -57.53 -49.22 77.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.242 0.544 . . . . 0.62 110.05 176.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.36 -41.65 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.174 -0.921 . . . . 1.49 110.774 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 85.9 tttt -65.96 -41.52 91.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.69 111.261 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.28 -40.33 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.447 -0.342 . . . . 0.94 110.672 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.98 15.16 17.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.647 -0.787 . . . . 0.35 112.42 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.75 121.3 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.305 0.574 . . . . 0.33 110.564 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.515 ' HG3' ' H ' ' A' ' 85' ' ' ASP . 15.7 pt20 -112.68 -176.88 3.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 2.37 110.36 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.88 111.549 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.515 ' H ' ' HG3' ' A' ' 83' ' ' GLN . 5.0 m-20 -89.43 -14.11 36.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 2.14 110.561 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.77 130.85 35.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.073 -0.512 . . . . 0.48 111.04 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.7 110.63 6.38 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.601 -0.518 . . . . 1.92 109.601 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 15.3 tp -113.0 129.48 56.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.703 -0.681 . . . . 0.35 110.387 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 17' ' ' ARG . 12.8 tp -112.72 148.0 35.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.737 -0.665 . . . . 0.39 109.452 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 54.1 t80 -126.72 110.78 13.51 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.734 -0.469 . . . . 0.4 109.734 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.1 t -142.55 147.23 41.92 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.435 -0.348 . . . . 0.6 111.016 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.58 127.89 27.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 1.04 110.668 169.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 12.3 pt20 . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.44 -0.504 . . . . 1.46 110.661 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.7 p-90 . . . . . 0 N--CA 1.444 -0.747 0 N-CA-C 109.905 -0.406 . . . . 0.4 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.58 108.56 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.577 0.703 . . . . 2.4 111.306 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 62.8 tp -91.84 125.65 36.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.362 -0.835 . . . . 0.76 110.224 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 p -95.51 120.11 44.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.354 0.597 . . . . 0.96 109.667 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.1 t -117.6 128.31 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.722 -0.672 . . . . 0.31 109.975 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.702 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 51.7 mtp180 -91.0 120.7 32.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.065 -0.516 . . . . 3.03 109.896 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -87.75 121.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 120.921 0.391 . . . . 0.46 111.05 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.753 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 16.9 t70 -97.28 106.24 18.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.376 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.143 -0.48 . . . . 0.99 110.007 -177.521 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.732 -0.84 . . . . 1.75 108.732 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -117.16 124.56 49.44 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.854 -0.338 . . . . 0.66 111.416 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.4 mp0 -98.42 107.76 20.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.822 -0.436 . . . . 2.34 109.822 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.496 HG22 ' HG ' ' A' ' 31' ' ' LEU . 43.8 mm -105.88 132.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.22 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.9 m -107.96 111.18 23.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.977 0.417 . . . . 0.51 110.22 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 29' ' ' ILE . 97.4 mt -116.1 145.25 43.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.496 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -91.15 109.79 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.266 -0.642 . . . . 3.71 109.266 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.37 164.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.545 -0.752 . . . . 0.43 110.613 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -118.2 165.18 14.12 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.776 -0.453 . . . . 1.52 109.776 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.92 -25.12 74.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.675 -0.774 . . . . 0.49 112.79 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -85.55 -2.37 58.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.977 0.417 . . . . 2.21 111.062 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.9 tp -76.32 127.54 33.07 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.3 109.069 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.905 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 16.8 p-80 -86.01 155.47 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.658 -0.417 . . . . 0.44 110.752 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.801 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.4 mm -50.86 -42.78 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.689 -0.687 . . . . 0.26 112.637 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.665 ' HA2' ' HE2' ' A' ' 43' ' ' MET . . . -56.11 -37.08 70.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.155 -0.545 . . . . 0.27 113.043 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.61 -35.64 67.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.924 -0.655 . . . . 0.37 111.846 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 77' ' ' LEU . 40.8 t -64.42 -47.27 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.713 0.292 . . . . 0.31 110.218 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.665 ' HE2' ' HA2' ' A' ' 40' ' ' GLY . 31.6 mtm -59.81 -37.73 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 1.26 110.741 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.2 tp -64.13 -45.31 89.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 1.02 110.498 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -64.15 -32.05 73.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 1.22 111.339 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -58.3 -45.05 88.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.007 0.432 . . . . 0.96 110.418 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.37 -43.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 0.65 110.522 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.1 mt-10 -61.7 -35.9 79.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.287 -0.415 . . . . 2.36 111.128 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 24.6 tp60 -61.36 -45.16 95.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.87 -0.604 . . . . 1.34 111.396 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.7 mtm . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.03 111.208 -176.764 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 36.6 p90 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.232 -0.284 . . . . 4.26 110.232 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' SD ' ' A' ' 43' ' ' MET . . . -145.16 157.83 43.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.66 111.06 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 88' ' ' LEU . 10.2 tp -95.57 138.91 32.58 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.577 -0.527 . . . . 1.22 109.577 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -122.27 119.59 31.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.993 0.425 . . . . 0.56 110.385 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.3 t90 -83.96 111.02 18.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.728 -0.841 . . . . 0.35 108.728 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 89' ' ' LEU . 4.5 mm-40 -66.44 -42.84 87.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 2.31 111.517 -175.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 91.0 mt-30 -63.14 -27.44 69.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 1.69 111.449 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.51 -9.26 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.233 -0.439 . . . . 1.1 111.311 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 14.0 ptp180 38.31 72.77 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.028 0.918 . . . . 3.52 110.776 -168.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -150.49 149.57 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.876 -1.057 . . . . 1.59 110.262 -171.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -95.17 126.2 40.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.162 -0.681 . . . . 0.57 109.162 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 mm? -77.78 103.26 7.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.134 0.492 . . . . 0.61 109.752 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -105.05 -8.72 18.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.885 -0.783 . . . . 0.73 108.885 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -79.24 52.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.712 -1.131 . . . . 1.95 109.175 173.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.801 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 32.7 p -66.05 -22.24 66.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 0.64 111.465 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -86.45 -10.57 53.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 2.94 110.6 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.464 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 12.9 m0 -86.88 149.13 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.76 109.779 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.905 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 77.7 p -85.5 166.7 16.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.393 -0.367 . . . . 0.38 111.103 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 42' ' ' VAL . 5.0 mp -57.48 -44.15 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.639 . . . . 0.62 110.923 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.94 -34.26 71.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.086 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 21.2 tptm -70.78 -33.01 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 1.69 110.572 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.2 m -77.28 -38.98 49.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 0.94 110.391 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.91 15.37 24.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.745 -0.74 . . . . 0.35 112.704 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.02 128.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.777 0.323 . . . . 0.33 110.337 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -122.01 -168.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 2.37 110.518 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.06 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.394 0.516 . . . . 0.88 112.394 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.36 -8.22 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.923 0.392 . . . . 2.14 110.58 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -83.21 125.63 31.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.43 . . . . 0.48 110.753 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -68.89 109.67 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.197 -0.668 . . . . 1.92 109.197 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 61' ' ' LEU . 20.9 tp -119.08 137.58 53.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.35 110.625 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 17' ' ' ARG . 15.6 tp -117.62 151.92 36.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.756 -0.657 . . . . 0.39 109.527 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.659 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.8 t80 -124.9 111.57 15.61 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.561 -0.533 . . . . 0.4 109.561 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.753 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -141.17 140.13 20.46 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.44 -0.346 . . . . 0.6 110.699 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.94 126.17 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.537 2.158 . . . . 1.04 111.748 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.046 0.451 . . . . 1.46 110.214 179.214 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.622 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.4 p-90 . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 110.272 -0.27 . . . . 0.4 110.272 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.72 112.36 20.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.976 0.417 . . . . 2.4 110.459 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.4 tp -102.83 129.6 49.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.76 110.299 -178.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 120.08 49.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.21 0.529 . . . . 0.96 110.19 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.564 ' HB ' HD11 ' A' ' 46' ' ' LEU . 83.4 t -112.27 123.75 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.601 . . . . 0.31 110.014 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 89' ' ' LEU . 78.3 mtp180 -88.19 111.24 21.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.077 -0.511 . . . . 3.03 109.901 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.0 t -86.09 124.02 39.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.067 0.46 . . . . 0.46 110.946 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' HB2' HD11 ' A' ' 89' ' ' LEU . 23.7 t70 -96.55 101.21 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.89 109.406 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.63 -0.713 . . . . 0.99 109.626 -177.399 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.905 -0.406 . . . . 1.75 109.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -89.52 120.68 31.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 0.66 110.663 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.5 106.99 19.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.526 0.679 . . . . 2.34 109.516 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.505 HG22 ' HG ' ' A' ' 31' ' ' LEU . 41.1 mm -100.13 129.69 50.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.514 -0.766 . . . . 0.44 110.958 -175.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.4 m -102.19 109.96 21.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.009 -0.541 . . . . 0.51 109.842 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' HG22 ' A' ' 29' ' ' ILE . 79.9 mt -113.61 139.12 49.28 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.853 -0.612 . . . . 0.52 109.956 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -92.23 108.85 20.26 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.756 -0.831 . . . . 3.71 108.756 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.89 163.44 25.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.536 -0.756 . . . . 0.43 110.981 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 p -104.33 156.65 17.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.236 -0.438 . . . . 1.52 109.957 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.67 -27.26 72.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.282 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.79 10.1 22.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.094 0.473 . . . . 2.21 111.098 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.7 tp -82.52 131.04 35.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.623 -0.51 . . . . 0.3 109.623 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 46.4 p-80 -75.64 146.91 39.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.44 110.754 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.743 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 17.0 mm -53.77 -37.49 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.924 -0.58 . . . . 0.26 112.051 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -27.74 65.09 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.006 -0.616 . . . . 0.27 112.812 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.93 -37.48 38.54 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.929 -0.653 . . . . 0.37 111.498 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 77' ' ' LEU . 47.6 t -63.85 -44.23 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 110.013 -0.365 . . . . 0.31 110.013 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 47.5 ttm -52.54 -41.4 63.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.743 -0.662 . . . . 1.26 110.937 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 57.9 tp -68.88 -42.5 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 1.02 110.877 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.82 -33.4 75.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.22 112.043 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.7 mm? -59.71 -44.21 93.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.441 . . . . 0.96 110.168 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.31 -37.02 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.65 110.684 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 50.8 mt-10 -70.11 -46.6 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.209 -0.45 . . . . 2.36 111.368 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 29' ' ' ILE . 6.3 tp-100 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.468 -0.333 . . . . 1.34 111.198 -176.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 109.918 -0.401 . . . . 1.03 109.918 177.701 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' OH ' ' HD3' ' A' ' 92' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.644 -0.132 . . . . 4.26 110.644 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -174.19 174.26 2.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.043 0.449 . . . . 0.66 111.95 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.6 mm? -95.5 137.12 35.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.511 -0.768 . . . . 1.22 110.168 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.406 ' HZ2' HH11 ' A' ' 67' ' ' ARG . 57.7 t-105 -108.45 114.68 28.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.997 -0.547 . . . . 0.56 109.548 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -85.39 110.69 19.31 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.612 -0.884 . . . . 0.35 108.612 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.3 -55.14 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 2.31 111.626 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.15 -39.12 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.329 0.492 . . . . 1.69 112.329 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -87.71 -13.07 43.46 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.747 0.277 . . . . 1.1 111.747 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.406 HH11 ' HZ2' ' A' ' 62' ' ' TRP . 35.0 mmt180 54.37 64.99 1.63 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.138 0.494 . . . . 3.52 110.208 -174.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -144.96 145.89 31.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 1.59 110.988 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -98.43 122.69 41.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.57 109.11 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 mm? -77.79 101.19 6.59 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.185 -0.606 . . . . 0.61 109.381 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.0 -5.03 11.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.186 -0.915 . . . . 0.73 109.034 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -84.5 66.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.812 -1.086 . . . . 1.95 108.17 174.601 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.743 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 10.5 p -74.03 -14.25 60.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.235 -0.893 . . . . 0.64 111.98 -172.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -82.85 -21.4 34.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.972 0.415 . . . . 2.94 109.952 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.9 m0 -75.67 154.05 36.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.575 -0.739 . . . . 0.76 109.667 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.3 p -93.87 168.85 10.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.377 -0.374 . . . . 0.38 110.841 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 42' ' ' VAL . 5.7 mp -55.62 -49.92 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.62 110.964 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.09 -33.74 75.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.63 . . . . 1.49 110.619 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.7 tptt -66.84 -39.71 87.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 1.69 110.688 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.3 m -74.57 -34.58 62.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 0.94 110.712 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.15 2.22 35.92 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.741 -0.742 . . . . 0.35 112.913 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.55 128.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.977 0.418 . . . . 0.33 110.581 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 48.5 mt-30 -123.9 -172.98 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 2.37 110.657 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.3 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.64 0.607 . . . . 0.88 112.64 -171.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -97.85 6.93 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.886 0.374 . . . . 2.14 111.305 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.1 129.66 42.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.35 . . . . 0.48 110.588 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -70.22 100.64 1.72 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.875 -0.417 . . . . 1.92 109.875 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.2 tp -109.09 124.69 51.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.35 110.533 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 17' ' ' ARG . 32.2 tp -104.36 136.27 44.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.72 -0.673 . . . . 0.39 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 6.0 t80 -107.06 108.08 19.39 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.802 -0.814 . . . . 0.4 108.802 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.6 t -142.41 149.54 51.53 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.874 -0.417 . . . . 0.6 109.874 -174.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 36.0 Cg_endo -66.2 133.06 31.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.268 1.978 . . . . 1.04 111.722 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.701 0.763 . . . . 1.46 110.42 177.333 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.543 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 5.6 p-90 . . . . . 0 N--CA 1.446 -0.641 0 CA-C-O 120.709 0.29 . . . . 0.4 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -75.73 124.68 27.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 2.4 110.617 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.7 tp -120.01 121.73 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.962 -0.563 . . . . 0.76 110.137 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.72 119.57 38.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.275 0.56 . . . . 0.96 110.004 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 46' ' ' LEU . 44.4 t -115.1 127.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.675 -0.693 . . . . 0.31 109.377 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.678 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.9 mtt180 -93.59 111.7 23.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.345 -0.389 . . . . 3.03 110.101 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.43 115.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.654 -0.498 . . . . 0.46 109.654 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB2' HD11 ' A' ' 89' ' ' LEU . 11.7 t70 -95.85 100.78 12.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.165 -0.68 . . . . 0.89 109.165 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.798 -0.637 . . . . 0.99 109.585 -178.099 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.99 0.424 . . . . 1.75 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -78.69 120.77 23.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 0.66 109.951 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.678 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 50.8 mt-10 -97.31 106.16 18.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.671 -0.492 . . . . 2.34 109.671 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -107.74 126.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.682 -0.69 . . . . 0.44 110.617 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 m -91.38 114.05 26.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.51 109.35 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -108.49 145.48 34.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.12 -0.491 . . . . 0.52 110.581 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -91.79 108.08 19.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.074 -1.084 . . . . 3.71 108.074 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -131.29 166.02 29.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.933 -0.576 . . . . 0.43 111.105 -172.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -140.75 162.39 35.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.775 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.556 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -59.79 -25.12 61.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.821 -0.704 . . . . 0.49 112.702 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -76.65 -11.68 59.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.689 0.28 . . . . 2.21 111.384 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 77' ' ' LEU . 45.9 tp -80.86 135.51 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.824 -0.435 . . . . 0.3 109.824 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.749 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.3 p-80 -87.03 150.16 24.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.398 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.5 mm -52.43 -39.04 27.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 C-N-CA 123.014 0.526 . . . . 0.26 112.234 -176.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.34 -30.76 68.41 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.015 -0.612 . . . . 0.27 112.418 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.67 -29.42 52.29 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.917 -0.658 . . . . 0.37 111.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 77' ' ' LEU . 38.4 t -66.91 -48.06 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.355 . . . . 0.31 110.148 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 46' ' ' LEU . 56.7 mtm -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 1.26 110.435 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.83 -47.66 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.02 109.965 175.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.761 ' HA ' ' HG2' ' A' ' 48' ' ' GLU . 40.2 mttp -62.66 -33.78 75.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 1.22 111.346 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 43' ' ' MET . 45.4 mt -60.38 -49.27 78.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 0.96 110.775 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.78 -43.51 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.359 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.761 ' HG2' ' HA ' ' A' ' 45' ' ' LYS . 8.3 pt-20 -72.2 -30.48 64.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.184 -0.206 . . . . 2.36 111.43 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.02 -53.96 21.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.833 0.349 . . . . 1.34 110.48 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.03 110.083 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.748 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 34.0 p90 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.331 -0.248 . . . . 4.26 110.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.7 163.2 39.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.027 0.441 . . . . 0.66 110.827 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 88' ' ' LEU . 16.4 tp -90.13 133.2 35.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.988 -0.551 . . . . 1.22 109.997 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -117.36 112.81 21.22 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.604 -0.726 . . . . 0.56 110.378 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.5 t90 -83.15 109.0 16.8 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.842 -1.17 . . . . 0.35 107.842 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -75.71 -37.46 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.256 . . . . 2.31 110.43 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 15.7 mm-40 -56.21 -38.47 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 1.69 111.409 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.9 mmtt -102.37 -15.85 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 1.1 111.472 -176.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 57.99 76.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.047 -0.524 . . . . 3.52 110.393 -171.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 25.0 p -163.08 148.68 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.757 -0.656 . . . . 1.59 110.376 -175.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 83.3 m95 -96.37 139.27 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.245 -0.65 . . . . 0.57 109.245 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.1 mm? -95.89 103.57 15.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.551 -0.537 . . . . 0.61 109.551 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.56 -7.1 15.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.392 0.615 . . . . 0.73 109.994 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.696 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.86 72.55 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.906 0.86 . . . . 1.95 109.303 173.614 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 33.0 p -66.17 -22.25 66.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.64 111.968 -174.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -87.42 -5.88 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 2.94 110.961 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -84.25 144.76 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.723 -0.473 . . . . 0.76 109.723 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.749 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 72.9 p -89.76 166.26 13.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.431 -0.349 . . . . 0.38 110.902 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 42' ' ' VAL . 7.2 mp -60.74 -34.0 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.463 . . . . 0.62 110.496 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.3 -38.35 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.49 110.244 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -73.17 -36.88 66.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.665 . . . . 1.69 111.048 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HG12 ' A' ' 82' ' ' VAL . 67.4 m -79.8 -34.2 39.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.518 -0.31 . . . . 0.94 111.399 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.03 14.2 52.5 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 0.35 112.507 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.3 p -91.88 122.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.33 110.213 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.543 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 81.0 mt-30 -129.61 -162.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 2.37 111.317 -177.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -23.31 67.26 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 112.934 0.716 . . . . 0.88 112.934 -172.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.58 1.94 56.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.928 0.394 . . . . 2.14 111.709 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.44 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . -81.84 109.92 16.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.328 -0.396 . . . . 0.48 110.528 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.66 106.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.538 -0.912 . . . . 1.92 108.538 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 61' ' ' LEU . 13.9 tp -115.48 123.15 47.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.35 110.985 -169.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 19' ' ' ASP . 24.4 tp -112.33 140.04 47.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.779 . . . . 0.39 109.336 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -116.73 110.07 17.96 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.121 -0.696 . . . . 0.4 109.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -141.97 151.29 58.87 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.23 -0.441 . . . . 0.6 111.401 -171.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.748 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 9.4 Cg_endo -54.84 136.65 72.88 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.43 2.087 . . . . 1.04 110.476 169.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.406 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 10.0 pt20 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.562 -0.29 . . . . 1.46 111.509 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.548 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.9 p-90 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.73 -0.47 . . . . 0.4 109.73 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.51 127.2 40.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.434 0.635 . . . . 2.4 110.849 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 54.6 tp -117.93 115.37 24.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.321 -0.854 . . . . 0.76 109.576 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.7 p -84.4 119.31 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.528 0.68 . . . . 0.96 109.755 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.92 115.89 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.515 -0.766 . . . . 0.31 109.38 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.624 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 80.6 mtp180 -83.58 110.03 17.9 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.82 -0.808 . . . . 3.03 108.82 177.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -87.99 117.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.025 0.441 . . . . 0.46 109.98 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.747 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 18.6 t70 -96.42 113.1 24.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.655 -0.702 . . . . 0.89 109.325 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.805 -0.634 . . . . 0.99 110.164 -175.743 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.844 0.354 . . . . 1.75 110.601 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -118.33 125.62 50.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.08 -0.509 . . . . 0.66 110.657 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.624 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 51.5 mt-10 -98.76 104.98 17.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.868 0.366 . . . . 2.34 110.086 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -109.6 124.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.44 110.214 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 9.4 m -97.35 103.82 15.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.744 -0.465 . . . . 0.51 109.744 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 46' ' ' LEU . 93.9 mt -93.12 136.43 33.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.017 -0.538 . . . . 0.52 110.907 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -92.54 106.32 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.597 -1.26 . . . . 3.71 107.597 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -131.47 156.11 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.238 0.542 . . . . 0.43 112.275 -167.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 m -96.67 147.18 24.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.364 -0.834 . . . . 1.52 109.058 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.44 -21.48 64.6 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.621 -0.799 . . . . 0.49 112.201 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.2 4.32 23.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.063 0.458 . . . . 2.21 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 77' ' ' LEU . 58.4 tp -86.98 135.31 33.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.141 -0.349 . . . . 0.3 110.157 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.968 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -80.85 152.21 28.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.679 -0.237 . . . . 0.44 111.012 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.809 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.6 mm -55.25 -43.62 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.905 -0.589 . . . . 0.26 112.214 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.1 66.18 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.27 112.268 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.59 -31.61 44.67 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.08 -0.808 . . . . 0.37 111.08 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 77' ' ' LEU . 88.1 t -65.74 -44.9 93.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 0.31 109.357 172.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 71.8 mtp -56.02 -42.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.495 -0.775 . . . . 1.26 110.87 176.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.29 -39.78 84.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.499 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.31 -34.69 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 1.22 111.195 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 31' ' ' LEU . 1.8 mm? -63.05 -47.27 83.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.983 0.421 . . . . 0.96 110.143 175.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 43' ' ' MET . 51.9 t -61.8 -47.21 94.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.94 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.19 -27.06 63.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.477 -0.328 . . . . 2.36 111.778 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.56 -54.21 9.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 1.34 110.778 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 1.03 110.853 -177.595 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.153 -1.055 . . . . 4.26 108.153 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.68 168.19 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.592 -0.443 . . . . 0.66 111.798 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.648 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.1 mm? -86.99 132.51 33.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.749 . . . . 1.22 110.302 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -101.91 115.0 29.58 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.67 -0.695 . . . . 0.56 109.326 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 3.7 t90 -88.94 109.92 20.66 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.6 -0.889 . . . . 0.35 108.6 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -67.84 -50.72 55.11 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.877 0.325 . . . . 2.31 111.877 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.48 -38.83 78.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.215 0.45 . . . . 1.69 112.215 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 63' ' ' TRP . 5.3 mptp? -91.01 -20.65 21.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.709 0.263 . . . . 1.1 111.709 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 56.9 71.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.674 0.609 . . . . 3.52 109.936 -171.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -156.49 147.05 21.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.493 -0.776 . . . . 1.59 109.96 -175.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -98.68 130.67 45.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.617 -0.512 . . . . 0.57 109.617 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.9 mm? -82.14 102.39 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.067 0.461 . . . . 0.61 110.119 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD21 ' OE1' ' A' ' 93' ' ' GLN . 76.9 mt -111.98 -11.53 13.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.692 -0.855 . . . . 0.73 108.692 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -78.86 57.25 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.572 -1.194 . . . . 1.95 108.822 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.809 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 9.8 p -70.72 -20.27 62.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 0.64 111.798 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 2.94 109.874 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 11.8 m0 -80.99 152.69 27.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 0.76 109.596 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.968 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.2 p -92.83 168.11 11.4 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.714 -0.221 . . . . 0.38 111.147 -177.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 42' ' ' VAL . 3.9 mp -54.77 -50.99 67.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.008 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.83 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.968 -0.56 . . . . 1.49 110.722 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 22.0 tptm -67.84 -39.67 83.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.69 110.819 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.06 -29.99 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.861 0.362 . . . . 0.94 110.845 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.54 17.69 27.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.279 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' ALA . 1.8 p -104.05 125.09 58.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.539 . . . . 0.33 110.329 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.4 mt-30 -128.57 -165.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 2.37 110.232 -176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.38 67.86 1.05 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.547 0.689 . . . . 0.88 110.248 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -158.7 -36.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 2.14 109.977 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -76.31 150.52 36.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.48 112.005 -174.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -97.96 104.36 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.316 -0.994 . . . . 1.92 108.316 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.648 ' HG ' HD12 ' A' ' 61' ' ' LEU . 6.5 tp -105.11 115.69 30.69 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.719 -0.673 . . . . 0.35 110.654 -171.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 19' ' ' ASP . 20.4 tp -101.89 129.48 48.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.57 -0.741 . . . . 0.39 109.623 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 43' ' ' MET . 4.3 t80 -102.96 106.09 16.56 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.74 -0.837 . . . . 0.4 108.74 178.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.75 151.59 53.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.6 110.677 -172.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 37.1 Cg_endo -66.94 129.38 20.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.397 2.065 . . . . 1.04 111.922 176.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.416 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 pt20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 1.46 111.3 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.604 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.1 p-90 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.325 -0.25 . . . . 0.4 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 8.1 pt-20 -96.23 127.24 42.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 2.4 110.944 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -112.86 134.63 54.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.269 -0.878 . . . . 0.76 110.078 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 5.9 p -97.95 120.6 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.195 0.521 . . . . 0.96 110.318 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.6 t -114.66 128.84 71.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.024 -0.534 . . . . 0.31 110.204 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 1.012 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 91.0 mtt180 -90.77 119.03 30.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 3.03 109.882 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 90' ' ' PHE . 39.7 t -102.93 124.68 57.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.704 0.288 . . . . 0.46 111.129 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -97.65 132.05 43.65 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.545 -0.909 . . . . 0.89 108.545 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 120.864 0.364 . . . . 0.99 111.742 -171.15 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.735 0.302 . . . . 1.75 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -78.45 111.33 14.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.23 -0.655 . . . . 0.66 109.23 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 1.012 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.7 mt-10 -99.33 102.1 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.453 0.644 . . . . 2.34 110.473 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 49' ' ' GLN . 39.3 mm -96.29 140.31 17.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.026 -0.988 . . . . 0.44 111.241 -174.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -103.38 108.41 19.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 0.51 109.787 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' GLU . 94.3 mt -108.46 138.36 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.811 0.339 . . . . 0.52 111.192 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 5.5 tpp180 -92.72 110.52 21.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.973 -0.751 . . . . 3.71 108.973 175.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.63 164.29 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.709 -0.678 . . . . 0.43 111.327 -171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 p -115.42 159.29 21.32 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.208 -0.664 . . . . 1.52 109.208 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.27 -25.92 68.86 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.751 -0.738 . . . . 0.49 112.928 -177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.09 7.31 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.68 0.276 . . . . 2.21 111.598 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.8 tp -83.99 123.49 30.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.649 -0.5 . . . . 0.3 109.649 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.89 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 34.3 p-80 -78.32 151.73 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.441 -0.345 . . . . 0.44 110.798 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 70' ' ' LEU . 26.5 mm -50.3 -40.73 18.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.528 -0.76 . . . . 0.26 113.027 -173.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.44 -36.07 75.25 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.058 -0.592 . . . . 0.27 113.056 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.84 -29.91 60.36 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.734 -0.746 . . . . 0.37 111.865 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 77' ' ' LEU . 40.3 t -66.58 -47.12 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.609 0.243 . . . . 0.31 110.492 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.14 -36.82 78.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.26 110.552 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.08 -38.66 86.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.913 -0.585 . . . . 1.02 110.427 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.22 111.489 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.9 mm? -58.94 -52.56 65.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.96 110.084 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.29 -42.66 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.65 110.538 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.54 -49.48 77.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.606 -0.725 . . . . 2.36 111.236 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 tp-100 -67.98 -43.73 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 1.34 111.375 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 120.994 -0.282 . . . . 1.03 111.553 -176.611 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 52.4 p90 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.626 0.25 . . . . 4.26 110.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 155.17 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.66 110.626 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 88' ' ' LEU . 13.8 tp -92.13 135.93 33.59 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.836 -0.431 . . . . 1.22 109.836 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.502 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 38.6 t-105 -122.88 121.11 35.41 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.02 -0.536 . . . . 0.56 110.387 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.5 t90 -89.38 109.03 19.98 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.379 -0.971 . . . . 0.35 108.379 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.71 -35.33 78.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 2.31 111.072 -172.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.86 -5.71 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.911 -0.586 . . . . 1.69 111.495 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -125.7 -8.18 6.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.559 -0.291 . . . . 1.1 111.154 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 14.1 mtp180 49.36 54.87 10.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.432 0.634 . . . . 3.52 110.606 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -137.27 148.18 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 1.59 110.872 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -95.83 121.98 38.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.217 -1.031 . . . . 0.57 108.217 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 39' ' ' ILE . 60.9 mt -82.06 102.25 10.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.926 -0.768 . . . . 0.61 108.926 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.62 -1.12 9.06 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.376 -0.829 . . . . 0.73 109.686 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -79.5 74.12 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.452 -0.794 . . . . 1.95 108.869 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 p -68.58 -12.74 61.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.363 -0.835 . . . . 0.64 111.881 -174.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -84.39 -7.77 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 2.94 109.982 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -95.87 145.85 25.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 0.76 109.902 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.89 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.1 p -96.67 174.5 6.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.328 -0.396 . . . . 0.38 110.807 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 42' ' ' VAL . 4.7 mp -55.56 -51.29 67.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.62 110.565 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.83 -37.32 86.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 1.49 110.755 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -67.5 -40.1 85.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.743 -0.662 . . . . 1.69 111.023 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -76.41 -37.69 56.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.425 -0.352 . . . . 0.94 110.96 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.41 -2.25 29.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.658 -0.782 . . . . 0.35 112.485 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -77.95 114.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.192 0.52 . . . . 0.33 110.108 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -113.43 -169.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.7 -0.682 . . . . 2.37 110.975 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.91 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.107 0.78 . . . . 0.88 113.107 -170.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -97.36 5.48 49.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.358 . . . . 2.14 111.189 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 129.83 34.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.559 -0.291 . . . . 0.48 110.681 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -78.54 122.09 25.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.744 -0.465 . . . . 1.92 109.744 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 61' ' ' LEU . 21.1 tp -124.15 144.25 50.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.759 -171.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 17' ' ' ARG . 24.9 tp -122.27 146.0 47.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.39 109.952 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' HB3' HG22 ' A' ' 18' ' ' VAL . 18.7 t80 -123.83 110.9 15.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.251 -0.648 . . . . 0.4 109.251 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 t -142.33 148.33 47.16 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.543 . . . . 0.6 111.196 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.6 144.34 97.53 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.147 1.898 . . . . 1.04 110.743 170.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.022 0.439 . . . . 1.46 110.454 -176.738 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.646 ' CH2' HD23 ' A' ' 77' ' ' LEU . 2.2 p-90 . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 120.709 0.29 . . . . 0.4 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -84.73 108.61 17.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.148 0.499 . . . . 2.4 110.978 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 54.7 tp -101.99 111.12 23.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.505 -0.771 . . . . 0.76 109.471 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 4.6 p -87.49 119.8 35.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.375 0.607 . . . . 0.96 110.102 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.7 t -112.76 124.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.141 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.96 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.6 mtt180 -84.09 111.65 19.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 3.03 110.092 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -87.04 124.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.481 -0.327 . . . . 0.46 110.565 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.825 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.9 t70 -96.92 119.6 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.762 -0.829 . . . . 0.89 108.762 175.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 116.201 -0.454 . . . . 0.99 111.48 -173.485 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.904 0.383 . . . . 1.75 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 m -101.63 119.36 38.66 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.498 -0.556 . . . . 0.66 109.498 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.96 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 47.8 mt-10 -97.67 101.65 13.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.235 0.541 . . . . 2.34 110.145 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.8 122.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.496 -0.774 . . . . 0.44 110.212 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 11.9 m -97.02 103.68 15.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.1 0.476 . . . . 0.51 110.191 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.86 139.75 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.52 110.064 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -92.54 109.59 21.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.657 -0.868 . . . . 3.71 108.657 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 m -124.89 164.6 23.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.837 -0.62 . . . . 0.43 111.394 -170.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -111.04 159.43 17.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.52 110.362 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.22 72.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.842 -0.694 . . . . 0.49 112.741 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -91.02 14.72 13.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 2.21 111.769 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 77' ' ' LEU . 50.2 tp -89.88 124.29 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.499 -0.556 . . . . 0.3 109.499 174.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.896 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.8 p-80 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.691 -0.232 . . . . 0.44 111.015 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.7 mm -51.24 -41.94 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.678 -0.692 . . . . 0.26 112.715 -173.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.42 78.51 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.818 -0.706 . . . . 0.27 112.617 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.69 -6.25 88.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.984 -0.626 . . . . 0.37 111.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 77' ' ' LEU . 60.3 t -90.24 -50.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.565 ' HA ' HD23 ' A' ' 46' ' ' LEU . 45.9 mtm -59.84 -34.84 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.963 -0.562 . . . . 1.26 110.659 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 1.02 109.984 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.37 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.371 . . . . 1.22 111.261 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 43' ' ' MET . 3.4 mm? -60.25 -52.33 65.73 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.922 0.391 . . . . 0.96 110.082 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.41 -39.86 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.65 110.635 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.45 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 2.36 110.999 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.8 -49.72 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.34 111.365 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 67.1 mtm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.325 . . . . 1.03 111.52 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 42.4 p90 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.858 -0.423 . . . . 4.26 109.858 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB3' ' HE3' ' A' ' 69' ' ' TRP . . . -156.51 165.25 36.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 0.66 110.86 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 88' ' ' LEU . 10.5 tp -89.24 136.0 33.26 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.705 -0.679 . . . . 1.22 109.266 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 55.9 t-105 -113.08 112.4 23.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.024 0.44 . . . . 0.56 110.385 -177.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -82.58 109.5 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.228 -1.027 . . . . 0.35 108.228 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.94 -37.02 81.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.035 0.445 . . . . 2.31 111.393 -172.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.75 -32.51 73.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.051 -0.522 . . . . 1.69 111.317 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.13 -15.65 19.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 1.1 111.142 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.71 65.14 1.6 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.108 -0.701 . . . . 3.52 109.108 -172.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t -148.04 147.46 29.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 1.59 110.731 -170.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.469 ' HE3' ' HB3' ' A' ' 60' ' ' ALA . 90.4 m95 -97.58 122.77 41.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.1 mm? -74.76 104.05 5.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.61 109.927 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.94 -9.45 15.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.472 -0.785 . . . . 0.73 108.94 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD2' ' CE3' ' A' ' 75' ' ' TRP . 50.9 mtmt -78.85 62.49 3.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.902 -1.045 . . . . 1.95 109.309 172.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 40.6 p -69.51 -24.52 63.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.64 111.305 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -79.94 -13.74 59.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.416 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 13.4 m0 -86.8 149.94 24.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.559 -0.534 . . . . 0.76 109.559 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.896 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.6 p -88.94 170.76 10.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.453 -0.339 . . . . 0.38 111.147 -176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 42' ' ' VAL . 3.6 mp -56.48 -46.51 80.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.62 110.801 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.13 -32.34 68.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.737 -0.665 . . . . 1.49 110.646 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.497 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 57.4 tptt -69.54 -35.16 75.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 1.69 110.646 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.66 -23.79 36.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.94 110.503 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.74 18.37 51.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.069 -0.586 . . . . 0.35 112.459 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.85 109.1 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 0.33 110.774 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -99.87 -170.09 1.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.282 -0.872 . . . . 2.37 110.213 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.45 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -74.09 -4.37 35.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.88 111.163 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.79 -14.63 44.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 2.14 110.576 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.52 135.65 34.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.843 -0.617 . . . . 0.48 111.896 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.51 109.48 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.91 -0.774 . . . . 1.92 108.91 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 61' ' ' LEU . 14.8 tp -118.17 129.91 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.176 0.513 . . . . 0.35 110.996 -173.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 17' ' ' ARG . 9.0 tp -114.9 152.99 31.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.324 -0.853 . . . . 0.39 108.898 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -129.83 111.47 12.63 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.642 -0.503 . . . . 0.4 109.642 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.825 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 4.6 t -140.86 143.28 31.2 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.394 -0.366 . . . . 0.6 110.456 -174.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.683 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 26.1 Cg_exo -62.84 132.58 37.86 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.262 1.974 . . . . 1.04 111.356 175.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.223 0.535 . . . . 1.46 109.937 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.511 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.787 0.327 . . . . 0.4 111.591 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -90.22 115.22 27.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 2.4 110.223 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.06 108.68 17.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.76 110.305 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.16 118.97 34.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.077 0.465 . . . . 0.96 109.857 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.2 t -114.95 127.32 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.863 -0.608 . . . . 0.31 109.692 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.778 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 93.5 mtt180 -88.46 110.61 20.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.801 0.334 . . . . 3.03 110.507 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 46.6 t -93.09 113.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.46 110.398 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.781 ' HB2' ' HG3' ' A' ' 26' ' ' GLN . 27.7 t70 -101.12 128.71 47.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.924 0.393 . . . . 0.89 110.078 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.517 -0.92 . . . . 0.99 108.517 176.588 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.781 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 1.2 mp0 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 1.75 112.358 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -78.65 132.74 37.17 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.251 -0.648 . . . . 0.66 109.251 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 37.7 mt-10 -97.88 104.85 16.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.328 0.585 . . . . 2.34 110.523 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -101.53 121.03 51.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.347 -0.842 . . . . 0.44 110.437 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -93.84 104.03 16.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 0.51 109.979 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.2 mt -95.38 144.67 25.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.716 -0.674 . . . . 0.52 111.156 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -92.35 108.33 19.88 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.746 -1.205 . . . . 3.71 107.746 170.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.0 m -129.51 160.39 40.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.048 -0.523 . . . . 0.43 110.724 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 m -125.37 162.02 25.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.223 -0.444 . . . . 1.52 110.675 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -65.83 -29.36 74.9 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.922 -0.656 . . . . 0.49 112.032 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.31 0.9 47.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.955 0.407 . . . . 2.21 110.91 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.5 tp -84.86 130.66 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.3 109.941 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.74 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.7 p-80 -84.17 148.7 26.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.44 110.825 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' A' ' 70' ' ' LEU . 15.7 mm -53.78 -37.12 31.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.096 0.559 . . . . 0.26 112.283 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.95 -26.79 61.26 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.196 -0.526 . . . . 0.27 112.56 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -82.76 -31.47 29.55 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.37 111.74 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 77' ' ' LEU . 68.0 t -67.65 -51.3 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.337 0.113 . . . . 0.31 111.029 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.621 ' HA ' HD23 ' A' ' 46' ' ' LEU . 43.6 mtm -62.37 -30.87 71.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.958 0.409 . . . . 1.26 110.731 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 tp -70.73 -30.86 67.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 1.02 110.489 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 68.3 mttm -66.7 -29.16 69.09 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.3 -0.409 . . . . 1.22 111.296 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 43' ' ' MET . 2.7 mm? -60.66 -53.21 60.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.96 110.0 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.68 -34.86 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.4 0.619 . . . . 0.65 110.05 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 37.2 tt0 -66.4 -32.37 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.011 -0.995 . . . . 2.36 111.519 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 12.2 mm100 -72.05 -54.47 9.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.114 0.413 . . . . 1.34 112.114 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.644 -0.422 . . . . 1.03 110.906 -177.656 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.9 p90 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.042 -0.355 . . . . 4.26 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.48 162.72 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.66 110.464 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 14.7 tp -99.27 139.08 35.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.029 -0.532 . . . . 1.22 110.251 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -121.14 118.01 28.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.56 110.678 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 65' ' ' GLN . 7.7 t90 -95.67 110.2 22.35 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.985 -0.746 . . . . 0.35 108.985 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.24 -22.69 61.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.87 0.693 . . . . 2.31 112.87 -170.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 97.7 mt-30 -87.13 11.53 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.274 0.559 . . . . 1.69 111.214 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -142.39 -32.7 0.49 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.449 -0.796 . . . . 1.1 109.188 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 61.96 83.78 0.15 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.509 -1.223 . . . . 3.52 110.532 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 p -169.65 150.62 4.09 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 113.543 -1.662 . . . . 1.59 108.76 -171.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.81 122.12 37.1 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.923 -0.769 . . . . 0.57 108.923 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -69.82 102.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.197 0.522 . . . . 0.61 109.77 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -113.7 3.05 15.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.506 -0.77 . . . . 0.73 109.035 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 2.5 mptp? -82.17 61.22 5.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.678 -1.146 . . . . 1.95 108.645 174.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.489 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 6.1 p -66.28 -28.04 68.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.578 -0.737 . . . . 0.64 112.26 -172.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -86.01 -13.16 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 2.94 110.596 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 11.1 m0 -78.86 146.58 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.924 -0.398 . . . . 0.76 109.924 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.74 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.0 p -88.02 163.37 16.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.38 110.843 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -57.36 -41.53 80.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.62 110.999 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.92 -31.08 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.491 -0.777 . . . . 1.49 110.632 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.86 -36.3 56.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 1.69 110.492 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.74 -43.83 65.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.94 110.586 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.35 8.95 37.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.35 112.808 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.42 128.92 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.042 -0.355 . . . . 0.33 110.042 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -112.1 178.25 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.522 . . . . 2.37 111.35 -175.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -67.19 -31.58 72.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.88 111.379 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.22 0.09 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 2.14 111.173 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.7 122.02 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.401 -0.363 . . . . 0.48 110.862 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.87 116.23 4.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.379 -0.373 . . . . 1.92 110.104 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 12.1 tp -120.36 119.08 32.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.35 110.364 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.35 138.13 45.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.39 109.911 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 11.8 t80 -114.5 108.69 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.827 -0.805 . . . . 0.4 108.827 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 t -142.51 150.85 55.9 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.873 -0.603 . . . . 0.6 110.292 -173.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.52 147.0 81.24 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.422 2.081 . . . . 1.04 112.113 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.942 -0.572 . . . . 1.46 109.858 -178.199 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.605 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.3 p-90 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.094 -0.336 . . . . 0.4 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.2 109.77 21.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.587 0.708 . . . . 2.4 111.081 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.718 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -100.64 113.72 26.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.217 -1.031 . . . . 0.76 108.217 175.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 3.7 p -81.85 115.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.644 -0.873 . . . . 0.96 108.644 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.718 HG22 HD12 ' A' ' 14' ' ' LEU . 41.4 t -107.07 116.87 51.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.68 -0.691 . . . . 0.31 109.282 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 80.3 mtp180 -85.24 111.66 20.04 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.473 -0.566 . . . . 3.03 109.473 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 48.5 t -85.85 115.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.795 -0.639 . . . . 0.46 110.263 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 15.9 t70 -95.93 104.75 16.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.135 -0.691 . . . . 0.89 109.135 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 . . . . . 0 C--N 1.32 -0.683 0 N-CA-C 108.453 -0.943 . . . . 0.99 108.453 178.284 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.601 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 69.9 mt-30 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.968 -0.382 . . . . 1.75 109.968 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -104.1 139.17 39.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.973 -0.558 . . . . 0.66 109.983 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 4.8 mp0 -96.66 103.09 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.34 110.176 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 49' ' ' GLN . 49.3 mm -106.18 104.92 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.598 -0.728 . . . . 0.44 109.978 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.3 m -87.56 103.69 15.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.014 0.435 . . . . 0.51 110.122 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.0 mt -97.56 137.53 36.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.962 -0.563 . . . . 0.52 111.072 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 42.9 ttm180 -92.58 108.27 19.85 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.271 -1.011 . . . . 3.71 108.271 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.94 147.38 31.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.779 -0.646 . . . . 0.43 111.85 -169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.9 m -90.16 159.83 16.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.506 -0.77 . . . . 1.52 110.538 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.06 -25.92 70.04 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.591 -0.814 . . . . 0.49 111.527 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.5 -1.1 49.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.211 0.529 . . . . 2.21 110.666 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' O ' HD13 ' A' ' 77' ' ' LEU . 49.4 tp -79.65 132.18 36.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.691 -0.485 . . . . 0.3 109.691 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.783 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -78.49 147.41 33.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.339 -0.392 . . . . 0.44 110.698 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' A' ' 70' ' ' LEU . 13.5 mm -51.92 -43.77 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 123.063 0.545 . . . . 0.26 112.042 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.479 ' HA2' ' SD ' ' A' ' 43' ' ' MET . . . -57.98 -28.14 60.52 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 121.066 -0.587 . . . . 0.27 112.768 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -42.33 58.61 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.143 -0.783 . . . . 0.37 111.143 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 77' ' ' LEU . 57.8 t -62.83 -43.5 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.978 -0.378 . . . . 0.31 109.978 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.479 ' SD ' ' HA2' ' A' ' 40' ' ' GLY . 76.2 mtp -52.94 -43.44 66.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.57 -0.741 . . . . 1.26 111.012 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.05 -36.16 66.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.729 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 66.0 mttm -68.65 -21.39 64.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.588 0.588 . . . . 1.22 112.588 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -61.62 -47.66 84.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.386 -0.526 . . . . 0.96 109.86 171.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.12 -33.89 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.013 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.731 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 31.0 tt0 -59.27 -50.11 75.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.92 -0.582 . . . . 2.36 110.757 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 29' ' ' ILE . 61.5 tp60 -72.45 -52.86 14.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.714 -0.676 . . . . 1.34 111.663 -176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.523 ' HE1' HG11 ' A' ' 18' ' ' VAL . 7.0 ttp . . . . . 0 C--N 1.33 -0.247 0 N-CA-C 109.612 -0.514 . . . . 1.03 109.612 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 35.5 p90 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.181 -0.303 . . . . 4.26 110.181 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.51 171.49 18.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.498 -0.319 . . . . 0.66 110.603 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.821 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.2 mm? -92.8 134.08 35.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.096 0.474 . . . . 1.22 110.99 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -105.53 112.27 25.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.474 -0.785 . . . . 0.56 109.608 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.42 ' HB2' HD21 ' A' ' 70' ' ' LEU . 5.3 t90 -91.82 109.04 20.36 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.671 -0.863 . . . . 0.35 108.671 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.68 -32.91 73.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 2.31 111.062 -173.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -72.98 -9.65 58.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.975 -0.557 . . . . 1.69 111.623 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.81 -12.29 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.648 -0.251 . . . . 1.1 111.363 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 56.83 38.39 29.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.07 0.462 . . . . 3.52 110.476 -174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 t -132.3 148.76 52.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.93 -0.577 . . . . 1.59 110.423 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.452 ' HH2' HG23 ' A' ' 91' ' ' THR . 91.4 m95 -96.01 130.19 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.57 109.665 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.9 mm? -75.55 102.74 5.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.154 0.502 . . . . 0.61 110.076 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.34 9.31 13.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 0.73 109.119 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 3.1 mptp? -80.55 69.96 7.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.86 -1.064 . . . . 1.95 109.045 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -68.34 -26.56 65.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.716 -0.675 . . . . 0.64 111.801 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -85.14 -28.65 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.94 110.095 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.723 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 12.1 m95 -71.36 143.54 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.174 0.512 . . . . 0.76 110.855 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 22.2 p -87.85 162.21 17.09 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.822 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.605 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.7 mp -56.41 -48.24 77.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.465 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.03 -31.57 71.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.507 . . . . 1.49 111.056 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 50.3 tttp -74.71 -38.81 62.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 1.69 110.466 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.2 t -64.11 -43.45 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.94 110.511 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.0 -9.5 18.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.638 -0.791 . . . . 0.35 112.578 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.11 112.7 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.446 0.641 . . . . 0.33 110.852 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -105.07 -173.61 2.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.568 -0.742 . . . . 2.37 110.41 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -68.87 -14.51 63.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.88 111.679 -175.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.33 11.12 24.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 2.14 111.588 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.67 149.5 28.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.513 0.197 . . . . 0.48 111.062 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -84.77 117.69 23.99 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.823 -0.436 . . . . 1.92 109.823 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.2 tp -123.84 117.53 25.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 0.35 110.544 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 17' ' ' ARG . 23.8 tp -104.6 134.92 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.723 -0.671 . . . . 0.39 109.602 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 63.7 t80 -109.6 108.03 18.31 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.355 -0.538 . . . . 0.4 110.019 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.617 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.4 t -144.13 151.66 52.58 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.501 -0.555 . . . . 0.6 109.501 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.27 141.95 47.93 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.426 2.084 . . . . 1.04 111.889 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 1.46 110.104 -176.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.478 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.965 -0.383 . . . . 0.4 109.965 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -85.65 107.53 17.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.055 0.455 . . . . 2.4 110.809 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 84' ' ' ALA . 60.4 tp -103.34 122.61 45.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.76 110.233 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.4 p -93.44 119.41 41.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.356 0.598 . . . . 0.96 110.106 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 46' ' ' LEU . 42.5 t -114.72 125.38 72.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.955 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 89' ' ' LEU . 98.4 mtt180 -84.23 122.16 28.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.167 -0.469 . . . . 3.03 109.962 177.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG21 ' HE1' ' A' ' 50' ' ' MET . 46.3 t -92.58 123.86 44.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 116.341 -0.391 . . . . 0.46 110.377 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.861 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.3 t70 -95.96 113.92 25.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.522 -0.548 . . . . 0.89 109.522 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.561 -0.745 . . . . 0.99 110.279 -174.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.702 -0.481 . . . . 1.75 109.702 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -78.12 136.49 37.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.66 110.672 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -98.84 105.95 18.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.774 0.797 . . . . 2.34 110.272 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 49' ' ' GLN . 45.3 mm -100.6 116.53 44.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.484 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 21.9 m -96.02 104.11 16.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.286 0.565 . . . . 0.51 109.803 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HG ' HG22 ' A' ' 29' ' ' ILE . 95.7 mt -104.17 141.91 35.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.487 -0.779 . . . . 0.52 110.516 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -91.48 108.63 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.338 -0.986 . . . . 3.71 108.338 173.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.0 148.52 30.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.43 111.248 -172.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -89.71 148.38 23.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.876 -0.602 . . . . 1.52 110.035 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.36 -31.55 77.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.656 -0.783 . . . . 0.49 111.788 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.21 2.4 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.507 . . . . 2.21 111.077 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.6 tp -78.79 131.63 36.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.684 -0.487 . . . . 0.3 109.684 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.8 p-80 -78.15 147.31 34.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.44 110.748 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 70' ' ' LEU . 17.5 mm -51.68 -42.44 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.26 112.436 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.44 -24.87 56.99 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.176 -0.535 . . . . 0.27 112.966 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 -37.02 20.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.928 -0.653 . . . . 0.37 111.601 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 77' ' ' LEU . 41.1 t -64.8 -43.41 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.81 -0.441 . . . . 0.31 109.81 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 67.2 mtp -54.08 -38.93 65.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.445 -0.798 . . . . 1.26 111.166 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 60.2 tp -72.55 -39.62 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.043 -0.526 . . . . 1.02 110.743 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 63.9 mttm -62.99 -27.67 69.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.15 -0.477 . . . . 1.22 111.908 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -62.12 -46.9 86.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.96 110.998 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.18 -49.72 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.511 . . . . 0.65 111.299 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 45' ' ' LYS . 7.8 pt-20 -67.12 -26.05 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 2.36 112.212 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 29' ' ' ILE . 26.7 tp60 -69.98 -32.61 70.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 1.34 110.912 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE1' HG21 ' A' ' 18' ' ' VAL . 61.6 mtm . . . . . 0 C--N 1.326 -0.426 0 C-N-CA 120.969 -0.292 . . . . 1.03 110.992 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 48.6 p90 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.233 -0.284 . . . . 4.26 110.233 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.99 169.2 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.66 110.64 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -108.24 138.41 44.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.414 -0.357 . . . . 1.22 110.099 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -123.05 126.14 46.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.879 -0.6 . . . . 0.56 110.282 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.47 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.3 t90 -95.66 110.05 22.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.662 -0.866 . . . . 0.35 108.662 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.14 -35.97 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 2.31 111.17 -173.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.41 -26.68 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 1.69 111.951 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.0 mmtt -115.09 -6.67 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.055 0.391 . . . . 1.1 112.055 -174.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 60.6 42.41 14.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.227 0.329 . . . . 3.52 111.068 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.3 p -130.5 148.89 52.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.935 0.398 . . . . 1.59 111.742 -174.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -95.87 123.87 39.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.051 -1.092 . . . . 0.57 108.051 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.7 mm? -73.02 103.35 3.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.762 -0.458 . . . . 0.61 109.762 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -108.56 5.86 25.46 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.836 -0.801 . . . . 0.73 108.836 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 37.4 mttm -83.21 57.76 4.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 1.95 108.821 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -62.62 -30.17 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 0.64 112.318 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -85.74 -21.44 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 2.94 110.413 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.2 m0 -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.038 -0.528 . . . . 0.76 110.342 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.6 p -96.26 168.9 10.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.876 -0.602 . . . . 0.38 111.031 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.676 HD11 HG21 ' A' ' 42' ' ' VAL . 5.2 mp -60.24 -43.77 95.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.62 111.579 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.0 -43.07 83.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 1.49 110.644 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 59.1 tptt -60.54 -38.15 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.228 -0.896 . . . . 1.69 111.376 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -73.51 -37.94 65.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.94 110.635 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.7 24.37 13.72 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.592 -0.813 . . . . 0.35 112.633 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -101.28 118.81 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.086 0.469 . . . . 0.33 110.394 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.03 -175.68 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 2.37 111.435 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -79.88 -13.99 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.88 112.183 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.77 -1.74 52.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.807 0.337 . . . . 2.14 110.76 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.76 131.16 36.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.986 -0.552 . . . . 0.48 110.586 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -71.82 97.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 1.92 109.818 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 61' ' ' LEU . 14.4 tp -100.98 135.99 41.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.352 -0.84 . . . . 0.35 109.638 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 17' ' ' ARG . 29.3 tp -118.28 132.61 56.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.5 -0.318 . . . . 0.39 110.332 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.2 t80 -111.77 111.36 22.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.779 -0.452 . . . . 0.4 109.779 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.861 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.2 t -141.51 143.07 28.35 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.004 -0.544 . . . . 0.6 110.004 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.578 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 22.4 Cg_exo -64.68 134.12 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.949 1.766 . . . . 1.04 110.955 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.58 0.705 . . . . 1.46 111.266 -176.009 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 14' ' ' LEU . 13.9 p-90 . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.246 -0.279 . . . . 0.4 110.246 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.4 pt-20 -92.58 124.44 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.508 0.67 . . . . 2.4 110.886 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 53.3 tp -111.43 130.2 55.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.969 -1.014 . . . . 0.76 110.217 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.8 118.32 34.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.685 -0.487 . . . . 0.96 109.685 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.39 121.48 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.719 -0.673 . . . . 0.31 109.817 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' HD12 ' A' ' 89' ' ' LEU . 64.9 mtt180 -88.15 118.03 27.45 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 3.03 109.891 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 t -89.16 124.71 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.263 -0.426 . . . . 0.46 110.317 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.5 113.93 25.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 0.89 109.67 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.707 -0.679 . . . . 0.99 110.84 -178.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.997 -0.742 . . . . 1.75 108.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 m -77.54 130.94 37.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.382 -0.372 . . . . 0.66 110.468 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -96.3 101.47 13.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.455 -0.572 . . . . 2.34 109.455 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.478 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.0 mm -98.67 121.63 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 0.44 110.54 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -95.22 112.02 23.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.165 -0.471 . . . . 0.51 109.891 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HG ' HG22 ' A' ' 29' ' ' ILE . 96.4 mt -116.46 129.42 56.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.284 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.7 ttm180 -92.78 110.1 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.313 -0.625 . . . . 3.71 109.313 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -117.57 151.11 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.457 -0.792 . . . . 0.43 111.147 -172.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -94.98 161.09 14.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 1.52 109.823 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.01 -19.12 67.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.872 -0.68 . . . . 0.49 112.691 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.6 5.74 48.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.553 0.216 . . . . 2.21 111.499 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HD22 ' A' ' 77' ' ' LEU . 47.3 tp -89.83 130.0 36.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.725 -0.472 . . . . 0.3 109.725 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 9.8 p80 -82.35 153.83 25.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.486 -0.324 . . . . 0.44 111.036 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.785 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 18.6 mm -49.83 -47.95 22.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 123.664 0.786 . . . . 0.26 112.189 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.86 -29.86 68.44 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.018 -0.611 . . . . 0.27 112.592 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.23 -37.37 48.63 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.12 -0.792 . . . . 0.37 111.12 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 77' ' ' LEU . 39.0 t -63.33 -46.07 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.31 109.348 174.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.2 mtp -58.14 -37.32 74.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.465 -0.788 . . . . 1.26 110.747 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.35 -29.67 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 1.02 110.568 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.4 mttm -73.47 -22.08 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.22 111.796 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.3 mm? -63.09 -43.06 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 170.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.31 -37.17 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.65 109.932 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 32.4 tt0 -59.75 -34.35 72.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.054 -0.976 . . . . 2.36 111.351 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.2 tp60 -72.14 -54.54 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 1.34 111.932 -174.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 1.03 111.929 -175.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 110.5 -0.185 . . . . 4.26 110.5 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.0 165.22 6.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.66 110.615 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 HG23 ' A' ' 39' ' ' ILE . 87.6 mt -98.89 130.67 45.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.876 0.369 . . . . 1.22 110.522 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 56.0 t-105 -106.41 113.59 27.19 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.775 -0.648 . . . . 0.56 109.756 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -86.22 109.32 18.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.657 -0.868 . . . . 0.35 108.657 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.39 -41.87 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.605 -0.271 . . . . 2.31 111.466 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 97.1 mt-30 -55.33 -39.85 70.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 1.69 111.528 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -98.5 -19.34 17.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.457 -0.338 . . . . 1.1 111.211 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 57.41 79.82 0.18 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.329 -0.619 . . . . 3.52 109.329 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 t -164.41 148.36 9.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.487 -0.779 . . . . 1.59 110.158 -172.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.435 ' CZ3' HG23 ' A' ' 91' ' ' THR . 84.4 m95 -96.58 124.89 40.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -69.01 104.61 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.122 0.487 . . . . 0.61 110.102 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.45 -12.58 15.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.89 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -79.91 60.85 3.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 1.95 109.418 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.785 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 20.2 p -67.54 -24.2 65.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.215 -0.902 . . . . 0.64 111.81 -174.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -85.09 -9.48 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 2.94 110.231 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 79' ' ' LYS . 11.9 m0 -88.42 156.27 19.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.76 110.124 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.78 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.7 p -89.74 169.98 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.576 -0.284 . . . . 0.38 110.891 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.43 -45.43 84.65 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.047 0.451 . . . . 0.62 110.07 176.719 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.8 -42.7 99.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.494 -0.776 . . . . 1.49 111.109 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 32.4 tttp -73.15 -22.51 60.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 1.69 110.775 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.9 t -83.54 -45.85 13.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.314 -0.403 . . . . 0.94 110.425 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.13 -3.34 23.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.706 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -80.63 127.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.33 110.952 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -116.26 -175.95 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 2.37 110.875 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.08 -11.79 61.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.361 0.504 . . . . 0.88 112.361 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -83.56 -18.2 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 2.14 111.023 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -74.2 133.74 42.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.999 0.428 . . . . 0.48 111.666 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -83.69 109.89 17.85 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.121 -0.696 . . . . 1.92 109.121 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 61' ' ' LEU . 14.0 tp -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.35 110.676 -173.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 62' ' ' TRP . 22.2 tp -109.42 142.89 39.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.714 -0.675 . . . . 0.39 109.497 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.633 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 14.0 t80 -114.96 110.74 20.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.4 109.571 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.435 HG23 ' CZ3' ' A' ' 69' ' ' TRP . 1.8 t -141.26 150.95 60.14 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.096 -0.502 . . . . 0.6 110.814 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.67 155.44 70.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.427 2.085 . . . . 1.04 110.84 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.986 -0.286 . . . . 1.46 111.266 -176.785 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.813 -0.515 . . . . 26.14 111.813 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 67.5 mt 63.91 101.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.252 0.549 . . . . 24.82 110.801 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -119.68 148.48 46.2 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 23.21 110.663 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.656 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 95.2 Cg_endo -88.79 25.34 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.031 2.487 . . . . 22.08 113.112 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -114.85 -25.73 8.09 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.728 0.269 . . . . 19.82 111.728 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 90.0 m -75.95 92.82 3.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.062 0.764 . . . . 18.37 113.062 -172.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt 55.2 32.76 19.14 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.236 0.828 . . . . 17.23 113.236 166.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt 59.61 -156.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.11 0.256 . . . . 14.96 111.295 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m 73.63 -43.01 0.54 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.55 0.74 . . . . 14.83 111.709 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 m -127.51 26.42 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.182 0.515 . . . . 12.3 110.061 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.656 ' HA2' ' HA ' ' A' ' -2' ' ' PRO . . . -116.0 -78.34 0.72 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.482 -0.866 . . . . 10.54 113.008 -175.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -89.91 136.22 33.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.909 0.385 . . . . 8.98 111.457 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 8' ' ' THR . 5.9 mp -103.16 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 9.0 110.543 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 13.4 t 175.98 14.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 5.9 110.155 -175.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -67.28 -25.55 66.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 4.74 111.003 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.18 95.4 7.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.133 0.492 . . . . 1.97 110.676 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 23.7 m -122.86 116.81 24.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.873 0.844 . . . . 1.22 110.055 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.627 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 11.3 p-90 -118.34 146.08 44.63 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.277 -1.329 . . . . 0.4 110.008 -173.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 11.7 pt-20 -84.45 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.208 0.527 . . . . 2.4 110.014 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 51.8 tp -112.92 125.76 54.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.747 -0.66 . . . . 0.76 109.841 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.66 119.74 35.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.413 0.625 . . . . 0.96 110.014 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 58.9 t -111.42 115.1 48.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.472 -0.785 . . . . 0.31 109.771 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' O ' HD12 ' A' ' 89' ' ' LEU . 20.4 ttp180 -86.8 111.72 21.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 3.03 109.577 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 50' ' ' MET . 48.7 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.081 0.467 . . . . 0.46 110.936 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.623 ' HB2' HD11 ' A' ' 89' ' ' LEU . 24.7 t70 -97.05 103.89 15.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.678 -0.692 . . . . 0.89 109.205 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -71.67 130.57 41.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.99 109.543 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -1.61 4.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.915 0.709 . . . . 1.79 112.915 -170.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.63 -12.41 25.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 4.01 110.598 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.29 30.23 67.42 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 111.146 -0.782 . . . . 2.95 111.146 -174.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.91 -36.95 24.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.078 0.466 . . . . 6.14 111.801 -174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 178.75 151.52 0.3 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.345 -0.843 . . . . 3.74 109.164 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -108.43 140.72 41.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.972 -0.381 . . . . 1.75 109.972 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 7.5 m -116.97 123.83 47.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.66 110.409 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.15 102.42 14.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.274 0.559 . . . . 2.34 110.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG21 ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -103.56 135.2 42.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.44 110.535 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -113.97 117.08 30.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 0.51 110.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.2 134.92 54.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.95 -0.568 . . . . 0.52 109.782 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 48.2 ttp180 -93.61 110.72 22.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.444 0.64 . . . . 3.71 109.564 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 77' ' ' LEU . 16.6 m -110.87 154.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.348 -0.842 . . . . 0.43 110.708 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 19.2 m -100.69 14.24 32.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.546 0.689 . . . . 1.52 111.57 -176.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 -41.73 2.2 Favored Glycine 0 C--N 1.308 -0.995 0 CA-C-N 115.04 -0.982 . . . . 0.49 112.904 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.08 3.79 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 2.21 111.027 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 43.1 tp -78.32 128.02 33.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.3 109.586 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.907 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 18.9 p-80 -78.51 150.59 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.153 -0.219 . . . . 0.44 110.783 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.736 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.3 mm -53.08 -42.28 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 123.143 0.577 . . . . 0.26 112.52 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.56 64.84 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.083 -0.579 . . . . 0.27 112.839 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -70.85 -39.79 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.764 -0.731 . . . . 0.37 111.471 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 HD11 ' A' ' 77' ' ' LEU . 25.9 t -63.33 -43.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.31 110.03 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.8 mtp -55.06 -42.36 72.62 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.623 -0.717 . . . . 1.26 111.404 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.1 tp -67.0 -42.15 85.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 1.02 110.785 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 68.1 mttm -63.9 -35.87 82.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 1.22 111.795 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -58.07 -50.22 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.96 110.426 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -57.39 -39.11 66.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.992 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.84 -34.79 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 2.36 111.193 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 29' ' ' ILE . 14.3 mm100 -65.7 -52.55 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 1.34 111.886 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 18' ' ' VAL . 3.7 mpp? -67.41 -48.2 68.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.61 -0.436 . . . . 1.03 110.833 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 54.74 74.61 0.34 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.612 0.72 . . . . 1.95 110.253 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.7 mt -127.42 135.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.601 -0.727 . . . . 1.56 110.254 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 72.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.119 0.485 . . . . 2.71 111.614 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.56 156.93 46.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.011 -0.736 . . . . 3.75 109.011 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -83.43 108.13 16.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.06 0.457 . . . . 2.95 111.341 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -81.76 73.03 8.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.467 -0.938 . . . . 2.18 108.467 174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -47.88 -44.29 29.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.944 -1.025 . . . . 2.67 112.255 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 10.8 t0 -158.45 106.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.246 -0.65 . . . . 2.77 109.246 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 40.8 p90 -116.73 151.25 36.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 4.26 111.232 -174.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.63 178.62 5.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.119 -0.491 . . . . 0.66 110.51 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.3 mm? -96.87 139.92 32.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.158 0.504 . . . . 1.22 111.224 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -113.22 114.68 27.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.293 -0.867 . . . . 0.56 109.235 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.49 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 4.0 t90 -83.06 110.05 17.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.35 108.814 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.61 -43.15 81.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.835 0.35 . . . . 2.31 111.829 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.12 -2.13 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.518 0.562 . . . . 1.69 112.518 -172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.81 -11.83 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.741 0.305 . . . . 1.1 110.551 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 51.71 74.16 0.27 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.485 -0.78 . . . . 3.52 110.829 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 21.3 p -158.76 149.24 19.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.702 -0.681 . . . . 1.59 110.682 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -96.12 125.95 41.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.57 109.409 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -71.92 104.78 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.61 109.79 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.31 1.63 10.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.405 -0.816 . . . . 0.73 110.056 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -92.77 65.74 4.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.836 -0.802 . . . . 1.95 108.836 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 52.6 p -66.78 -25.09 66.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.784 -1.098 . . . . 0.64 110.658 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -79.08 -4.46 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.892 -1.049 . . . . 2.94 110.389 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -104.63 152.05 22.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.76 110.253 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.907 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 48.2 p -84.85 169.4 14.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.172 -0.467 . . . . 0.38 110.86 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 42' ' ' VAL . 5.9 mp -57.43 -47.17 82.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.62 110.621 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.89 -33.16 74.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.443 -0.799 . . . . 1.49 110.999 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -71.42 -40.77 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 1.69 110.652 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.91 -36.98 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.94 110.602 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.54 9.02 34.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.635 -0.793 . . . . 0.35 112.474 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.66 117.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.21 0.528 . . . . 0.33 110.63 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.627 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 51.8 mt-30 -131.15 -171.8 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.722 -0.672 . . . . 2.37 110.462 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.53 -13.13 60.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.457 0.54 . . . . 0.88 112.457 -172.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.96 -13.65 60.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.14 110.951 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 63' ' ' TRP . . . -111.93 149.9 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.474 . . . . 0.48 110.876 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -90.02 139.24 30.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.446 -0.576 . . . . 1.92 109.446 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 61' ' ' LEU . 15.7 tp -125.43 126.42 44.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.099 0.475 . . . . 0.35 110.518 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 19' ' ' ASP . 13.7 tp -103.44 131.38 50.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.39 109.415 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 74.5 t80 -103.6 109.93 21.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.286 -0.635 . . . . 0.4 109.286 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.3 t -141.88 138.75 17.34 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 116.27 -0.423 . . . . 0.6 110.294 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.617 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 17.0 Cg_exo -67.09 133.52 31.15 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.164 1.91 . . . . 1.04 111.284 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -77.87 1.16 21.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.293 0.568 . . . . 1.46 109.85 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 4.0 t-80 65.47 25.51 11.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.773 -1.103 . . . . 4.6 111.867 166.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 94' ' ' HIS . 17.4 pttp 51.78 -170.21 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.13 0.894 . . . . 6.92 112.0 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.624 -0.703 . . . . 8.34 109.24 172.5 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.846 -0.501 . . . . 26.14 111.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 2.8 pp -102.2 176.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.781 -0.247 . . . . 24.82 110.632 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.6 167.89 5.01 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.513 -0.551 . . . . 23.21 109.513 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.22 7.15 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.152 2.568 . . . . 22.08 113.851 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 70.44 171.1 0.31 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.563 0.697 . . . . 19.82 111.834 176.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 5.7 p -98.36 20.38 12.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.143 -0.935 . . . . 18.37 110.765 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm -77.69 66.55 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.253 0.549 . . . . 17.23 110.866 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.3 tp -161.53 -43.28 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.162 -0.927 . . . . 14.96 108.778 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -81.94 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.41 -0.813 . . . . 14.83 110.625 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 m -150.12 34.97 0.66 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.944 -0.571 . . . . 12.3 109.773 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.69 -149.25 29.86 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.551 -0.749 . . . . 10.54 111.297 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -102.95 93.05 4.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.66 -0.496 . . . . 8.98 109.66 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -116.77 -28.68 6.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.743 -0.662 . . . . 9.0 110.736 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -142.08 146.4 35.39 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.164 0.507 . . . . 5.9 110.883 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.477 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 7.0 t -90.9 -33.24 15.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.988 -0.745 . . . . 4.74 108.988 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . 67.42 121.56 0.03 OUTLIER 'General case' 0 C--N 1.338 0.101 0 CA-C-N 114.796 -1.093 . . . . 1.97 112.163 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 30.2 m -94.68 93.54 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.586 0.708 . . . . 1.22 109.848 175.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 7.3 p-90 -93.49 146.51 23.72 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.981 -1.009 . . . . 0.4 110.221 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.67 117.49 22.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.644 0.735 . . . . 2.4 111.334 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 68.0 tp -114.44 134.3 55.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.885 -1.052 . . . . 0.76 109.69 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.09 119.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.392 0.615 . . . . 0.96 109.962 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -109.29 109.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.684 -0.689 . . . . 0.31 109.503 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 1.01 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 57.6 mtt180 -84.93 110.39 18.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 3.03 109.713 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 50' ' ' MET . 56.3 t -85.34 115.19 26.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.133 -0.485 . . . . 0.46 110.614 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.866 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.8 t70 -96.24 133.06 41.04 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.524 -0.762 . . . . 0.89 108.985 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -112.05 143.71 42.6 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.19 -0.459 . . . . 0.99 110.718 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.72 -46.67 62.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.596 -0.52 . . . . 1.79 109.596 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -143.82 123.24 13.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.906 -0.588 . . . . 4.01 110.448 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.16 143.09 11.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.06 -0.59 . . . . 2.95 113.001 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.706 ' HG3' HD13 ' A' ' 52' ' ' ILE . 7.9 mm-40 61.75 174.41 0.12 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.205 0.817 . . . . 6.14 113.205 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.66 -174.66 3.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.092 -0.958 . . . . 3.74 108.824 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.1 mt-30 -72.86 95.8 2.0 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.141 -0.688 . . . . 1.75 109.141 170.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -77.32 108.12 10.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.66 110.47 -172.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 1.01 ' HB3' ' HG2' ' A' ' 17' ' ' ARG . 7.8 pt-20 -99.22 106.99 19.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 2.34 110.724 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 49' ' ' GLN . 47.0 mm -100.93 132.58 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.964 -1.017 . . . . 0.44 110.019 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -98.46 102.14 13.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.69 139.36 41.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.52 109.767 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -93.54 109.38 20.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.64 0.733 . . . . 3.71 109.619 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' SER . 26.9 m -115.55 150.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.684 -1.144 . . . . 0.43 110.654 -173.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 58.6 p -91.38 157.4 17.12 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.126 -0.488 . . . . 1.52 110.033 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -64.63 -19.36 64.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 0.49 112.348 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.36 13.53 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 2.21 111.331 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 50.9 tp -94.19 124.88 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.926 -0.398 . . . . 0.3 109.926 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 40.4 p-80 -80.61 151.3 29.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.44 111.118 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.721 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.1 mm -50.32 -46.28 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.54 0.736 . . . . 0.26 112.708 -175.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.61 75.48 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.805 -0.712 . . . . 0.27 112.303 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.82 -34.11 56.71 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.257 -0.737 . . . . 0.37 111.257 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -64.61 -44.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.355 -0.609 . . . . 0.31 109.355 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.404 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 73.0 mtp -54.15 -44.47 71.44 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.34 -0.845 . . . . 1.26 111.182 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.77 -41.81 87.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.62 -0.718 . . . . 1.02 110.444 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.41 -31.11 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.22 111.537 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' LEU . 2.0 mm? -62.27 -52.79 62.3 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.858 0.361 . . . . 0.96 110.16 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 56' ' ' TRP . 97.8 t -55.36 -46.2 78.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.163 0.506 . . . . 0.65 110.397 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.3 -30.65 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.993 -1.003 . . . . 2.36 111.401 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG2' HG21 ' A' ' 29' ' ' ILE . 7.4 tp60 -73.92 -55.11 6.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.305 -0.407 . . . . 1.34 111.787 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.535 ' HB3' HG13 ' A' ' 52' ' ' ILE . 3.3 mpp? -87.42 -47.21 8.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.44 0.533 . . . . 1.03 112.44 -172.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 55.31 71.67 0.53 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.265 0.555 . . . . 1.95 110.302 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.706 HD13 ' HG3' ' A' ' 24' ' ' GLU . 73.8 mt -113.46 142.18 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.991 -0.549 . . . . 1.56 110.899 -173.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.02 92.93 0.18 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.865 -0.607 . . . . 2.71 112.324 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -165.15 177.68 7.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.405 -0.961 . . . . 3.75 108.405 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.0 124.4 37.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.398 0.618 . . . . 2.95 109.963 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.453 ' CD2' HG22 ' A' ' 47' ' ' VAL . 90.6 m95 -95.78 9.14 41.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.819 -0.628 . . . . 2.18 110.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -64.88 -51.87 59.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.727 -0.67 . . . . 2.67 110.52 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' HB3' ' HG2' ' A' ' 95' ' ' LYS . 12.5 t70 -99.67 98.9 9.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.093 -0.706 . . . . 2.77 109.093 175.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -161.15 145.12 13.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.719 -0.673 . . . . 4.26 110.119 -175.12 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.01 167.57 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.322 -0.399 . . . . 0.66 110.034 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.5 mm? -80.99 129.16 34.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.06 0.457 . . . . 1.22 110.336 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -103.66 115.11 29.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.085 -0.709 . . . . 0.56 109.085 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -81.43 109.17 15.66 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.549 -1.278 . . . . 0.35 107.549 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.52 -52.16 29.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.39 -0.823 . . . . 2.31 111.203 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.51 -32.13 72.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 1.69 111.975 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -90.54 -15.94 29.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.169 -0.212 . . . . 1.1 111.248 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 67' ' ' ARG . 13.5 mmt180 59.01 62.1 1.96 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.211 0.529 . . . . 3.52 110.626 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.45 148.04 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 1.59 110.903 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.547 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 93.2 m95 -96.32 128.81 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.975 -0.379 . . . . 0.57 109.975 177.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.6 mm? -83.6 103.16 12.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.429 -0.582 . . . . 0.61 109.429 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.3 mt -110.27 -5.75 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.096 -0.705 . . . . 0.73 109.096 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.95 66.44 4.4 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.973 -1.012 . . . . 1.95 109.046 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.721 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 19.6 p -67.03 -15.34 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.64 111.243 -175.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.94 -6.05 49.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.595 -0.729 . . . . 2.94 110.42 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.59 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 9.1 m0 -90.9 145.53 24.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.644 . . . . 0.76 110.058 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.3 p -88.49 166.19 14.36 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.932 -0.576 . . . . 0.38 110.669 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.54 -45.11 77.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.874 0.369 . . . . 0.62 110.512 177.248 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -43.28 93.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.55 -0.75 . . . . 1.49 110.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.6 tptt -72.43 -32.86 66.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 1.69 111.268 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 82' ' ' VAL . 69.5 m -75.92 -30.84 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.335 . . . . 0.94 110.907 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.31 7.48 58.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.35 112.425 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.8 p -86.26 119.88 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.547 . . . . 0.33 110.58 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.36 -170.28 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.327 -0.851 . . . . 2.37 110.86 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.37 -27.91 34.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 0.88 111.419 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.98 1.22 54.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 2.14 110.786 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.61 123.17 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.0 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -69.03 115.2 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.86 0.362 . . . . 1.92 110.324 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.632 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.5 tp -117.87 127.36 53.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.065 -0.516 . . . . 0.35 110.337 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.78 144.72 34.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.39 109.367 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 18' ' ' VAL . 8.8 t80 -120.05 106.36 11.92 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.4 109.128 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.866 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 13.0 t -143.89 152.28 55.02 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.862 -0.421 . . . . 0.6 109.862 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.707 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 10.1 Cg_endo -54.56 137.27 72.87 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.477 2.118 . . . . 1.04 111.244 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 23.5 pt20 -85.25 -38.73 18.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.801 -0.36 . . . . 1.46 111.595 -172.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -130.92 7.58 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.975 -0.29 . . . . 4.6 111.562 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.925 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 4.4 mmpt? -80.17 96.95 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 6.92 111.453 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.351 -0.981 . . . . 8.34 108.351 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.675 -0.57 . . . . 26.14 111.675 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.748 HG23 ' HA ' ' A' ' 0' ' ' THR . 3.9 mp -99.89 92.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.221 0.534 . . . . 24.82 110.463 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.866 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 22.2 t70 -142.4 -59.14 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.639 . . . . 23.21 109.902 173.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.866 ' HD3' ' HB3' ' A' ' -3' ' ' ASP . 2.8 Cg_exo -77.58 -47.12 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.961 1.774 . . . . 22.08 110.974 170.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -101.57 87.49 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.938 -0.574 . . . . 19.82 111.099 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.748 ' HA ' HG23 ' A' ' -4' ' ' ILE . 9.2 t -89.26 -20.13 24.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.513 -1.292 . . . . 18.37 107.513 168.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.667 ' HG2' ' H ' ' A' ' 2' ' ' LEU . 33.9 ttp -147.85 -169.91 3.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.863 -1.532 . . . . 17.23 106.863 174.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.667 ' H ' ' HG2' ' A' ' 1' ' ' MET . 99.2 mt -73.94 79.84 1.66 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.393 0.542 . . . . 14.96 111.087 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -129.05 99.33 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 14.83 110.559 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -94.04 -6.8 44.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 12.3 111.822 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.17 -78.95 1.91 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.62 -0.8 . . . . 10.54 111.226 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -93.88 118.66 31.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.994 -0.372 . . . . 8.98 109.994 172.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.51 11.99 38.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.424 . . . . 9.0 110.296 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -77.62 -55.56 5.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.1 -0.5 . . . . 5.9 109.726 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -174.86 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.566 -0.743 . . . . 4.74 109.849 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.26 33.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 1.97 109.728 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 m -70.38 114.76 8.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.576 -0.738 . . . . 1.22 110.257 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.651 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.4 p-90 -92.85 146.2 23.82 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.15 -0.932 . . . . 0.4 110.235 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.1 112.91 18.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.617 0.723 . . . . 2.4 110.701 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.5 tp -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.24 -0.891 . . . . 0.76 110.018 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 6.2 p -90.09 120.19 38.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.407 0.622 . . . . 0.96 109.737 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.4 t -119.4 131.28 72.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.743 -0.662 . . . . 0.31 109.413 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 79.5 mtp180 -96.22 116.8 29.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.017 0.436 . . . . 3.03 109.909 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 47.4 t -87.34 115.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.837 -0.62 . . . . 0.46 110.637 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.2 t70 -96.8 106.94 19.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.276 -0.638 . . . . 0.89 109.276 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -75.78 144.96 41.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 0.99 111.034 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.84 171.3 7.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.619 -0.719 . . . . 1.79 109.551 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 66.0 t30 67.14 17.0 10.34 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.828 0.823 . . . . 4.01 109.625 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.17 -179.98 41.0 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.547 -1.021 . . . . 2.95 110.547 -177.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.18 119.9 39.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.316 0.558 . . . . 6.14 110.362 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -173.53 117.35 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 3.74 110.269 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 45.3 mt-30 -110.82 124.1 51.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.843 0.354 . . . . 1.75 110.429 174.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 9.1 m -107.59 137.53 45.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.862 -0.608 . . . . 0.66 110.392 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.4 mp0 -98.41 112.14 24.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.873 0.368 . . . . 2.34 110.293 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.9 mm -111.31 140.15 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.44 110.089 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.8 m -121.11 108.48 13.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.51 110.714 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -109.16 133.84 52.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.953 -0.567 . . . . 0.52 110.401 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -91.07 108.2 19.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 3.71 109.076 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 162.59 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.366 -0.833 . . . . 0.43 111.075 -172.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -122.92 170.0 10.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.093 -0.706 . . . . 1.52 109.093 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.48 -14.61 62.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.079 -0.581 . . . . 0.49 113.429 -173.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.94 -15.37 59.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 2.21 111.145 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 40.2 tp -79.8 140.88 36.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.965 -0.383 . . . . 0.3 109.965 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 13.6 p80 -90.33 152.02 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.417 -0.356 . . . . 0.44 110.776 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.639 HG23 HD12 ' A' ' 61' ' ' LEU . 22.6 mm -51.96 -45.04 39.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.717 0.636 . . . . 0.26 112.717 -175.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.67 -33.25 66.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.917 -0.659 . . . . 0.27 112.857 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.59 72.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.939 -0.648 . . . . 0.37 111.572 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 HD11 ' A' ' 77' ' ' LEU . 41.9 t -64.54 -44.78 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.91 -0.404 . . . . 0.31 109.91 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.51 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.0 mtp -55.43 -37.84 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.578 -0.737 . . . . 1.26 111.371 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -40.13 71.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 1.02 110.708 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.02 -30.4 71.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.22 111.558 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -57.8 -53.16 61.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.646 0.26 . . . . 0.96 110.32 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -59.24 -40.89 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.774 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.03 -42.29 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 2.36 110.978 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 15.0 mm100 -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.34 112.224 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -75.86 -35.16 60.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.587 -0.445 . . . . 1.03 110.768 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.1 t30 60.4 75.22 0.42 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.536 0.684 . . . . 1.95 110.385 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.6 mt -134.09 98.23 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.831 . . . . 1.56 109.557 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.95 89.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 2.71 110.893 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -148.68 -172.51 4.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.701 -0.682 . . . . 3.75 109.574 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.86 117.23 14.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.015 0.436 . . . . 2.95 111.012 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -119.54 33.96 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.873 -0.603 . . . . 2.18 109.441 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 m -63.31 -33.4 75.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 2.67 111.379 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.43 102.19 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.8 -0.445 . . . . 2.77 109.8 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 1.5 p90 -158.64 150.52 21.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 4.26 110.313 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.59 169.38 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.365 0.416 . . . . 0.66 110.757 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 39' ' ' ILE . 75.7 mt -93.34 127.53 38.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.314 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -104.66 114.98 29.55 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.883 -0.598 . . . . 0.56 109.619 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -86.81 110.34 19.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.967 -0.753 . . . . 0.35 108.967 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.41 -34.23 76.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.762 0.315 . . . . 2.31 111.804 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -71.1 -32.64 69.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 1.69 111.703 -175.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -106.52 -20.41 13.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.642 -0.253 . . . . 1.1 111.048 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 57.89 82.87 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.607 0.718 . . . . 3.52 110.718 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -167.39 148.6 5.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.832 -1.077 . . . . 1.59 109.813 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 97.3 m95 -96.76 122.62 39.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.57 109.847 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -76.12 103.66 6.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.61 109.577 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.04 -5.56 10.51 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.277 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 75' ' ' TRP . 46.3 mmtm -78.82 70.42 5.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 1.95 108.948 171.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.4 p -68.99 -19.08 64.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.64 111.651 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.72 -12.05 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.661 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 12.8 m0 -80.48 142.25 34.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.76 110.558 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 45.7 p -82.88 164.82 20.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.054 -0.521 . . . . 0.38 110.523 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 ' CH2' ' A' ' 12' ' ' TRP . 5.5 mp -59.1 -41.16 87.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.62 110.624 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.8 -32.99 71.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.49 110.458 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.06 -43.67 78.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 1.69 110.426 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.7 m -72.18 -42.56 65.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.94 110.975 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.76 18.45 15.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.381 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.2 115.66 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.125 0.488 . . . . 0.33 110.383 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.5 mt-30 -121.07 -164.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.668 . . . . 2.37 110.843 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.9 -21.06 66.42 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.569 0.581 . . . . 0.88 112.569 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -95.5 10.95 34.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.871 0.367 . . . . 2.14 111.349 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.33 127.29 42.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.478 -0.328 . . . . 0.48 110.931 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -72.33 108.9 5.7 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.457 -0.571 . . . . 1.92 109.457 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 61' ' ' LEU . 20.3 tp -122.72 126.42 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.861 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 19' ' ' ASP . 22.0 tp -112.4 125.53 54.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.778 -0.646 . . . . 0.39 109.518 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 55.0 t80 -103.38 108.88 20.3 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.4 109.861 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.81 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.7 t -144.09 151.26 51.68 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.915 -0.584 . . . . 0.6 110.232 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 72.7 Cg_exo -51.16 124.71 14.57 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.123 1.882 . . . . 1.04 110.448 169.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.628 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 15.1 pt20 -57.26 -38.87 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 1.46 111.69 -173.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 14.8 t-80 53.97 41.95 31.84 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.001 0.429 . . . . 4.6 110.511 173.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 94' ' ' HIS . 24.9 ttpp 71.19 139.83 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.394 -0.821 . . . . 6.92 111.291 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 64.4 mtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.585 -0.721 . . . . 8.34 110.527 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.81 -0.516 . . . . 26.14 111.81 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.94 105.42 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.647 -0.501 . . . . 24.82 109.647 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -93.18 126.26 51.53 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.865 -0.607 . . . . 23.21 111.404 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.48 -15.7 12.31 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.872 2.381 . . . . 22.08 113.277 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -71.03 -36.96 72.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.991 -0.374 . . . . 19.82 109.991 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 76.8 p 53.99 -161.34 0.13 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.407 -0.815 . . . . 18.37 112.273 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt -78.34 78.95 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.293 0.568 . . . . 17.23 110.566 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 tp -116.53 -28.99 6.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 14.96 110.121 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -142.0 89.03 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 14.83 110.212 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 t -87.68 -28.81 21.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.887 -0.597 . . . . 12.3 109.989 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.84 123.61 1.43 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.806 -0.712 . . . . 10.54 112.052 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -106.6 -58.88 1.87 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 8.98 109.683 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.6 pt? -104.03 -31.88 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.599 -0.519 . . . . 9.0 109.599 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.2 m -119.51 99.78 6.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.83 -0.623 . . . . 5.9 110.205 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 m -104.59 40.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.796 -0.638 . . . . 4.74 110.156 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . -79.44 42.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 1.97 111.566 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 44.7 m -107.79 110.64 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.043 -0.725 . . . . 1.22 109.043 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.1 p-90 -122.32 168.16 12.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.964 -0.562 . . . . 0.4 111.499 -172.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -86.45 104.71 16.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.281 0.562 . . . . 2.4 111.027 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 tp -99.62 109.43 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.398 -0.819 . . . . 0.76 109.64 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.18 120.28 35.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.327 0.584 . . . . 0.96 110.117 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG22 HD23 ' A' ' 88' ' ' LEU . 41.0 t -111.59 121.88 64.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.756 -0.656 . . . . 0.31 109.939 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.894 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 87.0 mtt180 -81.98 112.17 18.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 3.03 109.945 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 38.7 t -89.89 116.86 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.224 -0.444 . . . . 0.46 110.492 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 17.8 t70 -111.78 137.44 49.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.744 -0.662 . . . . 0.89 109.744 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.969 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 49.2 m-70 -118.61 150.04 40.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.119 -0.697 . . . . 0.99 109.119 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.05 20.55 17.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.697 0.284 . . . . 1.79 111.342 -174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -152.86 97.0 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.91 0.386 . . . . 4.01 111.741 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.86 33.37 83.02 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.571 -0.741 . . . . 2.95 114.295 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.969 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 4.2 mm-40 -141.35 150.5 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.218 0.509 . . . . 6.14 111.349 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -103.51 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.65 . . . . 3.74 109.529 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 73.9 mt-30 -74.84 131.54 40.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.205 0.526 . . . . 1.75 111.798 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -116.89 132.72 56.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.394 -0.821 . . . . 0.66 109.399 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.894 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 48.6 mt-10 -97.49 112.9 24.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.003 0.43 . . . . 2.34 110.684 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' A' ' 49' ' ' GLN . 38.1 mm -102.19 123.89 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.711 -0.677 . . . . 0.44 110.193 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -96.82 114.09 25.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.051 0.453 . . . . 0.51 110.148 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.15 140.13 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.52 110.628 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -93.23 108.68 20.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.16 -1.052 . . . . 3.71 108.16 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 11' ' ' SER . 17.7 m -128.62 150.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.113 0.483 . . . . 0.43 111.559 -172.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 15.7 p -98.07 154.48 17.69 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.511 -0.768 . . . . 1.52 109.928 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.84 70.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.767 . . . . 0.49 112.346 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.16 -4.8 46.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.975 0.417 . . . . 2.21 111.166 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.3 tp -79.61 131.99 36.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.779 -0.452 . . . . 0.3 109.779 176.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.795 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -82.29 150.11 27.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.228 -0.442 . . . . 0.44 110.438 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.641 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.2 mm -51.13 -46.71 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 113.078 0.77 . . . . 0.26 113.078 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.97 -28.64 63.9 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.736 -0.745 . . . . 0.27 112.426 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.13 -22.17 71.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.042 -0.599 . . . . 0.37 111.617 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 77' ' ' LEU . 46.4 t -77.85 -49.68 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.273 -0.64 . . . . 0.31 109.273 175.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 mtp -56.67 -38.36 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.411 -0.813 . . . . 1.26 111.098 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 tp -61.15 -38.43 86.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.674 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 62.4 mttp -67.56 -33.26 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 1.22 111.224 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.5 mm? -57.77 -49.84 75.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.708 0.289 . . . . 0.96 110.819 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.43 -36.7 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 0.65 110.24 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.9 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 2.36 111.711 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 27.9 mm-40 -62.07 -53.15 59.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.726 0.298 . . . . 1.34 111.788 -175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -80.35 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.645 -0.252 . . . . 1.03 110.993 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.8 m120 60.12 29.96 19.47 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.151 0.5 . . . . 1.95 110.889 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.98 126.33 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.664 -0.698 . . . . 1.56 110.542 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.7 118.26 3.52 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.597 -0.52 . . . . 2.71 109.597 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 56' ' ' TRP . 77.3 mt-30 -59.97 120.08 8.98 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 122.049 0.928 . . . . 3.75 112.626 -171.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 36.33 0.82 Allowed 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 106.111 -1.811 . . . . 2.95 106.111 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.494 ' CD1' ' HA ' ' A' ' 54' ' ' GLN . 58.2 m95 -84.82 69.89 10.78 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.618 -1.628 . . . . 2.18 110.209 -171.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 m -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.791 . . . . 2.67 109.84 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 94' ' ' HIS . 73.1 m-20 -125.07 113.08 17.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.393 -0.821 . . . . 2.77 109.734 175.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 13.0 p90 -158.74 142.07 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.941 -0.303 . . . . 4.26 110.421 173.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB3' ' HB3' ' A' ' 93' ' ' GLN . . . -170.63 167.0 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.887 -0.597 . . . . 0.66 109.899 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -98.88 134.21 42.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.694 -0.484 . . . . 1.22 109.694 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -117.29 121.07 40.14 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.053 -0.521 . . . . 0.56 110.593 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.582 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.0 t90 -90.4 110.66 21.75 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.473 -0.936 . . . . 0.35 108.473 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.17 -46.91 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.252 -0.431 . . . . 2.31 110.854 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.45 -55.03 27.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 1.69 111.89 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.7 -11.09 59.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 1.1 111.667 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 53.3 76.78 0.19 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.763 0.664 . . . . 3.52 111.295 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.64 148.33 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 1.59 110.371 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -95.79 122.08 38.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.188 -1.041 . . . . 0.57 108.188 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.641 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -73.19 102.96 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.227 0.537 . . . . 0.61 110.009 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.11 10.42 15.0 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.76 -0.83 . . . . 0.73 108.76 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.27 63.81 8.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.852 -1.067 . . . . 1.95 108.624 175.185 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 p -69.23 -19.08 63.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.645 -0.707 . . . . 0.64 111.276 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -88.66 -10.52 48.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 2.94 110.062 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 31.7 m0 -93.83 147.74 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.068 -0.515 . . . . 0.76 110.571 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.795 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -91.64 169.6 10.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.694 -0.685 . . . . 0.38 110.962 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD11 HG21 ' A' ' 42' ' ' VAL . 6.1 mp -60.07 -37.78 80.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.62 111.263 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.55 -43.0 91.21 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.834 0.349 . . . . 1.49 110.897 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.16 -42.84 93.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 1.69 111.244 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -69.84 -36.36 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.02 0.438 . . . . 0.94 110.807 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.73 11.01 58.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.69 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.86 125.13 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.85 0.357 . . . . 0.33 110.049 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -120.23 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 2.37 110.889 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.04 -16.11 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.542 0.571 . . . . 0.88 112.542 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -95.5 4.55 53.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 2.14 110.801 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.91 129.84 34.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.364 -0.38 . . . . 0.48 111.351 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -74.56 108.34 7.25 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.095 -0.706 . . . . 1.92 109.095 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 61' ' ' LEU . 16.5 tp -119.35 130.22 55.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.849 -0.614 . . . . 0.35 110.752 -171.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 17' ' ' ARG . 31.2 tp -118.7 136.9 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.839 -0.619 . . . . 0.39 110.257 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -116.34 109.24 17.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.066 -0.716 . . . . 0.4 109.066 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 12.1 t -142.68 151.97 58.39 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.42 -174.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 83.4 Cg_exo -48.01 116.22 1.85 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.913 2.408 . . . . 1.04 112.371 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.1 pt20 -64.44 -41.03 96.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.946 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.459 ' HA ' ' OD1' ' A' ' 58' ' ' ASP . 50.6 t60 49.04 78.48 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.587 -0.733 . . . . 4.6 110.824 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HD3' ' HG3' ' A' ' 96' ' ' MET . 1.6 tmtp? -73.59 118.27 16.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.5 -0.773 . . . . 6.92 109.354 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.592 ' HG3' ' HD3' ' A' ' 95' ' ' LYS . 80.3 mtp . . . . . 0 C--O 1.25 1.115 0 O-C-N 123.833 0.708 . . . . 8.34 110.532 -173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 112.167 -0.373 . . . . 26.14 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -127.76 165.09 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 122.795 -0.238 . . . . 24.82 110.871 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.07 134.39 39.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.885 -0.413 . . . . 23.21 109.885 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -86.85 33.13 0.43 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.244 2.629 . . . . 22.08 114.044 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -144.89 120.7 10.57 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.12 -0.326 . . . . 19.82 110.12 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.453 HG22 ' HG3' ' A' ' 1' ' ' MET . 20.6 m -74.85 -84.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 18.37 110.753 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG3' HG22 ' A' ' 0' ' ' THR . 66.2 mtt -145.84 165.23 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.761 -0.459 . . . . 17.23 109.761 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.25 143.37 48.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.76 -0.459 . . . . 14.96 109.76 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m 68.95 105.95 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.739 0.649 . . . . 14.83 110.464 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.401 ' HB2' HE22 ' A' ' 83' ' ' GLN . 66.8 m -88.91 5.78 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.356 0.502 . . . . 12.3 112.356 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.82 62.06 4.57 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.058 -0.817 . . . . 10.54 111.058 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -51.93 135.12 31.02 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 8.98 111.963 -171.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.7 mt -82.73 48.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.408 -0.815 . . . . 9.0 111.041 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 t -98.11 12.61 33.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 5.9 109.644 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m 57.67 61.15 2.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.574 -0.739 . . . . 4.74 110.796 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . -112.84 130.26 56.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.662 -0.699 . . . . 1.97 109.841 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 68.6 m -95.82 105.25 17.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.457 0.646 . . . . 1.22 110.969 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.0 p-90 -99.68 153.73 18.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.27 -0.877 . . . . 0.4 109.753 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 115.64 21.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.673 0.749 . . . . 2.4 111.309 -174.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.8 tp -115.4 116.56 28.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.151 -0.931 . . . . 0.76 109.329 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 5.6 p -85.18 119.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.329 0.585 . . . . 0.96 110.284 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.45 122.86 70.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.654 -0.703 . . . . 0.31 109.826 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 89' ' ' LEU . 70.8 mtp180 -89.96 115.38 27.22 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.862 -0.421 . . . . 3.03 109.862 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 43.5 t -88.32 116.44 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.051 0.453 . . . . 0.46 111.12 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.828 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 23.1 t70 -102.12 120.33 40.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.502 -0.772 . . . . 0.89 109.731 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.12 116.5 23.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.968 -0.753 . . . . 0.99 108.968 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.98 105.08 0.08 Allowed 'General case' 0 C--O 1.236 0.365 0 O-C-N 124.083 0.865 . . . . 1.79 112.721 -171.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.88 35.8 25.17 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.354 -0.839 . . . . 4.01 110.326 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.32 -115.19 1.64 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.462 -0.875 . . . . 2.95 112.44 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -71.06 170.76 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.813 0.34 . . . . 6.14 110.768 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -75.39 171.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.217 -0.447 . . . . 3.74 110.499 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 82.0 mt-30 -77.95 129.8 35.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.096 -0.502 . . . . 1.75 110.064 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 20.2 m -105.78 138.24 42.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.66 110.333 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.0 mp0 -97.14 103.15 15.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.034 0.445 . . . . 2.34 109.919 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.97 109.73 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.907 -0.588 . . . . 0.44 110.436 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.2 m -91.66 113.23 25.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.51 109.541 177.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 45' ' ' LYS . 91.1 mt -110.53 144.33 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.252 -0.431 . . . . 0.52 110.344 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 21.5 ptt180 -92.74 110.01 21.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.936 -0.764 . . . . 3.71 108.936 174.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' SER . 18.5 m -123.5 158.62 28.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.329 -0.85 . . . . 0.43 110.768 -173.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 11.4 m -106.06 157.19 17.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.256 -0.429 . . . . 1.52 110.156 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 -18.35 73.13 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.695 -0.764 . . . . 0.49 111.366 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.33 -21.03 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.14 -0.53 . . . . 2.21 110.417 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.3 tp -75.54 143.17 42.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.819 -0.628 . . . . 0.3 109.998 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 39.9 p-80 -92.22 156.65 17.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.203 -0.295 . . . . 0.44 110.203 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 16.8 mm -54.64 -39.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.767 0.427 . . . . 0.26 112.15 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.27 68.45 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.06 -0.591 . . . . 0.27 112.24 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -74.84 -32.63 56.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.936 -0.649 . . . . 0.37 111.538 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 77' ' ' LEU . 32.7 t -65.04 -44.25 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.31 109.64 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.485 ' HE3' HG22 ' A' ' 73' ' ' THR . 63.9 mtt -54.34 -49.45 69.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.822 -0.626 . . . . 1.26 110.288 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -55.24 -44.75 75.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.991 -1.004 . . . . 1.02 110.988 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 31' ' ' LEU . 65.8 mttm -64.11 -38.28 90.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.37 -0.377 . . . . 1.22 111.948 -177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 18' ' ' VAL . 2.9 mm? -61.89 -44.8 96.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.96 110.521 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.0 -41.3 87.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.42 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.2 -48.35 76.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.826 -0.625 . . . . 2.36 111.291 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 49' ' ' GLN . 6.5 tp60 -61.02 -53.76 53.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 1.34 111.65 -173.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.462 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 46.1 mtm -70.82 -30.69 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 1.03 110.09 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 53.45 81.06 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.256 -0.884 . . . . 1.95 110.666 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.2 mt -130.26 114.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.476 -0.783 . . . . 1.56 110.33 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.96 88.57 6.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 2.71 110.798 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -141.28 173.21 11.71 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.744 -0.836 . . . . 3.75 108.744 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.98 109.81 15.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.614 0.721 . . . . 2.95 109.923 177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -91.36 71.58 6.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.657 -0.701 . . . . 2.18 109.467 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 t -72.06 103.16 3.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.389 -0.823 . . . . 2.67 111.022 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.512 ' HB3' ' CG ' ' A' ' 93' ' ' GLN . 1.7 m-20 60.41 81.85 0.17 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.433 -0.803 . . . . 2.77 111.642 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.725 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 25.1 p90 -101.65 142.29 33.22 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.367 -0.379 . . . . 4.26 110.399 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 43' ' ' MET . . . -155.08 167.2 31.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.327 . . . . 0.66 111.173 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.4 mm? -93.01 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 1.22 110.819 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 32.9 t-105 -111.9 112.39 24.01 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.464 -0.789 . . . . 0.56 109.358 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.566 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -82.97 110.26 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 0.35 108.586 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -68.68 -41.17 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.67 0.271 . . . . 2.31 111.601 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.78 -17.72 64.08 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.955 0.354 . . . . 1.69 111.955 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -110.72 -25.15 10.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.73 0.3 . . . . 1.1 110.649 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 59.37 72.72 0.51 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.528 -0.76 . . . . 3.52 109.757 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -159.12 150.09 19.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.47 -0.786 . . . . 1.59 110.147 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -96.42 124.74 40.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.618 -0.512 . . . . 0.57 109.618 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.5 mm? -77.09 104.84 7.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.61 109.846 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.7 mt -107.26 -15.91 14.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.73 111.382 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -78.83 75.5 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.109 0.956 . . . . 1.95 109.454 173.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 59.4 p -68.16 -34.22 75.91 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.663 -1.153 . . . . 0.64 111.905 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -83.85 -0.14 49.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.898 -0.321 . . . . 2.94 111.499 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -84.8 137.68 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.096 -0.705 . . . . 0.76 109.096 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.852 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 78.1 p -73.83 163.34 28.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.38 110.752 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.2 mp -57.88 -41.32 82.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.976 -0.556 . . . . 0.62 110.85 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.6 -37.6 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.372 . . . . 1.49 110.593 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -62.86 -34.49 77.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 1.69 110.619 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.73 -42.93 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.476 . . . . 0.94 110.679 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.42 -1.91 32.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.35 112.321 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 86' ' ' ALA . 2.2 p -79.03 113.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.242 0.544 . . . . 0.33 110.442 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.401 HE22 ' HB2' ' A' ' 4' ' ' SER . 25.1 mt-30 -112.22 -169.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.797 -0.638 . . . . 2.37 110.859 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.98 44.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.552 0.575 . . . . 0.88 112.552 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.03 -1.8 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.803 0.335 . . . . 2.14 110.796 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -91.25 136.84 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.988 0.423 . . . . 0.48 111.419 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -84.7 114.97 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.912 -0.773 . . . . 1.92 108.912 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.77 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.0 tp -121.86 128.08 51.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 0.35 111.335 -172.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 17' ' ' ARG . 14.4 tp -109.23 143.57 38.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 0.39 109.064 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 33.9 t80 -120.82 108.57 14.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.052 0.453 . . . . 0.4 110.317 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.828 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.32 147.23 39.42 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.966 -0.753 . . . . 0.6 108.966 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.725 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 78.1 Cg_exo -51.48 139.56 46.2 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.112 1.875 . . . . 1.04 111.479 173.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.512 ' CG ' ' HB3' ' A' ' 58' ' ' ASP . 24.3 pt20 -72.75 78.23 1.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.128 0.966 . . . . 1.46 110.319 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -100.96 10.2 41.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.809 -1.087 . . . . 4.6 109.97 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? 69.22 142.5 0.04 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.996 -1.002 . . . . 6.92 111.992 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 85.8 mtp . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.551 -0.749 . . . . 8.34 109.709 175.297 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.081 -0.408 . . . . 26.14 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.477 HG13 ' HA ' ' A' ' 2' ' ' LEU . 47.2 mm 65.74 90.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.368 0.604 . . . . 24.82 111.395 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.694 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 35.2 m-20 -114.78 -56.53 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 23.21 111.34 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.694 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 4.1 Cg_exo -77.52 -3.55 13.74 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.318 2.012 . . . . 22.08 111.737 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.445 ' HB2' HG23 ' A' ' -4' ' ' ILE . 75.0 m-85 -115.63 179.22 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.542 -0.754 . . . . 19.82 109.846 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 28.1 p -122.0 163.61 19.07 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.087 -0.506 . . . . 18.37 110.384 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtm 65.66 88.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.755 0.66 . . . . 17.23 111.639 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.477 ' HA ' HG13 ' A' ' -4' ' ' ILE . 60.5 tp -73.82 -47.68 36.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 14.96 109.311 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m 49.49 68.73 0.68 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 124.087 0.867 . . . . 14.83 111.41 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -73.27 -20.56 60.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 12.3 110.928 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.78 -162.81 24.37 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.828 -0.701 . . . . 10.54 112.713 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.2 -35.5 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.29 . . . . 8.98 110.485 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.1 mt 72.11 -61.85 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.481 -0.781 . . . . 9.0 111.561 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -80.52 32.32 0.29 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.652 0.739 . . . . 5.9 111.499 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -132.59 14.36 4.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 4.74 109.473 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.03 -170.13 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.446 -0.797 . . . . 1.97 109.852 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 12.1 m -83.52 94.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 1.22 110.269 176.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 9.2 p-90 -79.9 144.69 33.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.139 -0.937 . . . . 0.4 110.377 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.88 105.67 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.547 . . . . 2.4 111.503 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.5 tp -100.16 117.84 35.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.601 -0.727 . . . . 0.76 109.741 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.77 118.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.553 0.692 . . . . 0.96 110.113 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.05 123.69 71.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.238 -0.892 . . . . 0.31 109.124 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 89' ' ' LEU . 57.0 ttt180 -93.99 118.77 31.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.696 -0.483 . . . . 3.03 109.696 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 ' HD2' ' A' ' 90' ' ' PHE . 37.0 t -85.42 121.62 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.256 -0.429 . . . . 0.46 110.577 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.864 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 22.9 t70 -97.12 124.82 41.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.915 -0.772 . . . . 0.89 108.915 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 17.1 m-70 -102.5 100.9 11.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.326 -0.397 . . . . 0.99 111.675 -169.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 94.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.218 -0.66 . . . . 1.79 109.218 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 44.8 t-20 -179.92 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 4.01 109.307 -169.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.38 31.31 3.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.427 -0.669 . . . . 2.95 111.427 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 9.9 pt-20 -126.09 178.03 6.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.726 0.298 . . . . 6.14 110.629 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -68.26 156.37 37.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 3.74 111.822 -174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -87.41 153.9 21.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.612 . . . . 1.75 109.349 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -121.2 130.74 53.85 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.594 -0.275 . . . . 0.66 110.84 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.49 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.47 -0.567 . . . . 2.34 109.47 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.438 HG22 ' HG ' ' A' ' 31' ' ' LEU . 46.6 mm -101.65 123.86 55.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.83 -0.623 . . . . 0.44 111.254 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -97.94 107.08 19.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.019 -0.537 . . . . 0.51 109.974 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HG ' HG22 ' A' ' 29' ' ' ILE . 90.5 mt -107.12 133.8 51.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.214 -0.448 . . . . 0.52 110.187 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -91.82 108.47 19.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.691 -0.855 . . . . 3.71 108.691 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' SER . 28.1 m -127.35 146.37 33.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.43 111.29 -172.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -92.73 154.15 18.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.747 -0.66 . . . . 1.52 109.302 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -58.78 -26.62 60.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.084 -0.579 . . . . 0.49 112.98 -176.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.31 15.06 14.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.694 0.283 . . . . 2.21 111.763 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 tp -85.76 126.59 34.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.518 . . . . 0.3 109.603 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.4 p-80 -76.17 146.74 38.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.44 111.116 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 70' ' ' LEU . 16.6 mm -52.22 -43.21 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.382 0.673 . . . . 0.26 112.191 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.56 60.6 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.766 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -79.57 -37.22 24.16 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.383 -0.687 . . . . 0.37 111.383 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.19 -43.29 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.549 -0.538 . . . . 0.31 109.549 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.459 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 73.0 mtp -54.01 -41.87 68.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.359 -0.837 . . . . 1.26 111.544 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.34 -36.58 79.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.4 . . . . 1.02 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.608 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.2 mttt -65.66 -32.4 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.248 -176.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -59.0 -52.34 66.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.37 . . . . 0.96 110.157 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.52 -41.53 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.65 110.79 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.89 -32.13 73.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.855 -0.611 . . . . 2.36 111.591 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 15.2 mm100 -66.57 -54.15 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 1.34 111.782 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.586 ' HB3' HG13 ' A' ' 52' ' ' ILE . 3.8 mpp? -77.02 -43.51 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.027 -0.269 . . . . 1.03 111.02 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.0 t30 55.44 41.66 30.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.441 0.639 . . . . 1.95 110.956 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.586 HG13 ' HB3' ' A' ' 50' ' ' MET . 61.9 mt -80.26 129.15 38.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.431 -0.581 . . . . 1.56 109.431 176.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.06 83.7 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 2.71 111.927 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -152.64 174.08 14.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 3.75 109.456 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.33 104.61 6.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 2.95 111.235 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -96.68 35.43 1.52 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.102 -0.703 . . . . 2.18 109.102 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 m -68.25 -39.27 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 2.67 110.493 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -103.64 103.24 13.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 2.77 109.765 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.4 p90 -155.85 147.56 23.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.88 -0.6 . . . . 4.26 110.628 -176.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.15 170.91 7.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.66 110.281 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.797 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.0 mm? -91.98 125.81 36.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 1.22 111.117 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.405 ' HD1' ' HB3' ' A' ' 89' ' ' LEU . 41.6 t-105 -102.99 111.2 23.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.56 109.573 175.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -82.79 108.63 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.098 -1.075 . . . . 0.35 108.098 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.75 -35.61 75.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.439 -171.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 91.9 mt-30 -68.02 -45.78 73.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 1.69 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 70.9 mmtt -96.09 -1.52 48.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.059 -0.256 . . . . 1.1 111.156 -175.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 54.14 53.17 11.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.024 -0.534 . . . . 3.52 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.6 p -142.24 148.07 37.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.391 . . . . 1.59 111.272 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.9 132.49 43.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.074 -0.512 . . . . 0.57 109.793 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.5 mm? -82.63 103.19 11.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.173 -0.677 . . . . 0.61 109.173 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -115.22 -11.6 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.008 -0.542 . . . . 0.73 110.924 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.86 79.49 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.631 -0.877 . . . . 1.95 108.631 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.422 HG22 ' SD ' ' A' ' 43' ' ' MET . 18.8 p -67.54 -19.52 65.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.372 -0.831 . . . . 0.64 112.54 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -86.01 -17.42 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 2.94 110.494 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -77.0 149.23 35.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.386 -0.37 . . . . 0.76 110.221 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 60.0 p -95.0 174.29 7.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.251 -0.431 . . . . 0.38 110.77 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -41.63 90.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.17 0.51 . . . . 0.62 109.646 173.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.73 -37.41 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.128 -0.942 . . . . 1.49 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -69.1 -42.6 75.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 1.69 110.627 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.37 -34.89 63.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.94 111.065 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.47 20.88 25.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.35 112.525 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.36 127.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.33 110.58 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -109.7 -179.62 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.766 -0.652 . . . . 2.37 110.104 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.18 66.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.088 0.471 . . . . 0.88 110.962 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -83.61 19.76 1.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.779 -0.646 . . . . 2.14 111.074 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.04 136.4 49.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.891 0.377 . . . . 0.48 111.077 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 2.8 m-20 -71.91 96.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 1.92 109.58 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.797 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.4 tp -110.77 116.21 30.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.172 0.511 . . . . 0.35 110.166 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.3 tp -108.02 130.21 55.08 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.466 -0.788 . . . . 0.39 109.28 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.659 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 63.1 t80 -103.27 107.62 18.52 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.462 -0.57 . . . . 0.4 109.462 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.864 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -144.32 151.36 51.09 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 0.6 110.212 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.12 144.59 89.79 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.733 2.288 . . . . 1.04 111.789 172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -96.91 -2.64 43.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 1.46 111.224 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -122.16 154.93 36.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 4.6 110.657 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 59.65 77.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.9 0.75 . . . . 6.92 111.293 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.19 -0.914 . . . . 8.34 109.68 179.778 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.792 -0.523 . . . . 26.14 111.792 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.26 131.6 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.343 . . . . 24.82 110.608 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -136.89 125.14 14.8 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.4 -0.363 . . . . 23.21 110.555 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.98 144.38 94.5 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.897 2.398 . . . . 22.08 112.163 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.47 177.06 6.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.19 -0.459 . . . . 19.82 110.491 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 20.0 m -78.22 105.03 9.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.076 0.465 . . . . 18.37 110.193 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp -97.43 161.54 13.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.077 -0.511 . . . . 17.23 110.717 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt 62.04 23.71 14.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.943 -0.572 . . . . 14.96 112.242 174.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -163.24 76.28 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.239 0.542 . . . . 14.83 110.15 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.1 m -152.13 53.35 0.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 12.3 110.616 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.38 43.48 62.08 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.731 -0.747 . . . . 10.54 111.535 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.58 -31.92 67.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 8.98 111.064 -175.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.9 pp -132.47 147.12 52.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.981 0.42 . . . . 9.0 111.21 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -85.5 68.59 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.849 -0.614 . . . . 5.9 110.325 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 m 66.57 -70.93 0.1 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.382 -0.826 . . . . 4.74 111.164 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.06 158.26 5.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.605 -0.517 . . . . 1.97 109.605 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 t -139.47 127.54 22.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.466 0.651 . . . . 1.22 109.479 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 17.6 p-90 -148.05 159.91 43.41 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.825 -1.08 . . . . 0.4 110.215 -172.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.17 115.36 27.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.172 0.51 . . . . 2.4 110.606 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 55.8 tp -94.72 125.23 39.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.76 110.054 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 p -93.36 119.48 41.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.493 0.663 . . . . 0.96 109.837 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 46' ' ' LEU . 61.9 t -122.58 127.03 74.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.717 -0.674 . . . . 0.31 109.755 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 89' ' ' LEU . 77.8 mtp180 -95.96 120.05 35.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.318 -0.623 . . . . 3.03 109.318 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG11 ' HE1' ' A' ' 50' ' ' MET . 54.9 t -90.89 130.95 39.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.883 -0.598 . . . . 0.46 111.329 -175.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.616 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 14.4 t70 -97.75 131.18 44.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.727 -0.842 . . . . 0.89 108.727 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.833 -0.347 . . . . 0.99 110.897 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 -8.56 58.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 1.79 110.086 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -86.15 -62.42 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.307 -0.86 . . . . 4.01 109.623 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.06 -148.44 23.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.709 -0.758 . . . . 2.95 111.429 174.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -149.72 5.71 0.61 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.827 0.306 . . . . 6.14 111.827 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.51 127.6 48.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 110.035 -0.357 . . . . 3.74 110.035 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -66.36 132.29 48.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 1.75 110.205 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -99.25 135.51 40.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.039 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.5 mp0 -97.31 109.0 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 2.34 110.425 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.621 HG23 ' HG2' ' A' ' 49' ' ' GLN . 46.5 mm -106.64 136.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.498 -0.774 . . . . 0.44 110.202 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m -120.21 105.34 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.035 0.445 . . . . 0.51 110.133 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 49' ' ' GLN . 94.8 mt -110.57 144.64 39.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.52 110.828 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -92.57 109.29 20.7 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.017 -0.735 . . . . 3.71 109.017 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.86 147.48 20.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.097 0.475 . . . . 0.43 111.155 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -99.52 157.94 16.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.69 -0.686 . . . . 1.52 109.94 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -25.85 63.87 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.128 -0.558 . . . . 0.49 112.34 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -99.96 22.43 11.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.417 0.627 . . . . 2.21 110.541 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.71 121.04 39.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.624 -0.51 . . . . 0.3 109.624 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.3 p-80 -77.24 149.94 35.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.44 111.413 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 75' ' ' TRP . 15.5 mm -53.81 -40.1 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 115.737 -0.665 . . . . 0.26 111.886 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.8 -31.28 60.75 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.156 -0.545 . . . . 0.27 112.598 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.43 -38.21 29.34 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.273 -0.731 . . . . 0.37 111.273 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.91 -42.35 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.631 -0.507 . . . . 0.31 109.631 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' HG22 ' A' ' 73' ' ' THR . 74.3 mtp -52.4 -50.56 62.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.697 -0.683 . . . . 1.26 111.326 177.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.35 -37.85 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 1.02 110.879 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 36.9 mttp -66.75 -30.68 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 1.22 111.809 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.1 mm? -58.17 -48.68 79.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.96 109.945 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.98 -41.37 89.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.65 110.319 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 34.3 tt0 -60.28 -45.26 93.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 2.36 111.525 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' HG2' HG23 ' A' ' 29' ' ' ILE . 56.6 tp60 -64.7 -38.37 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.888 -0.597 . . . . 1.34 111.152 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HE1' HG11 ' A' ' 18' ' ' VAL . 68.9 mtm -79.42 -36.98 38.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 1.03 111.062 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 58.28 41.2 23.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.718 0.77 . . . . 1.95 109.733 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.4 mt -102.63 118.38 49.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 115.482 -0.781 . . . . 1.56 110.231 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.64 71.9 8.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.977 -0.556 . . . . 2.71 111.458 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -112.13 179.95 3.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.392 -0.966 . . . . 3.75 108.392 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.29 91.46 8.8 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.447 -0.501 . . . . 2.95 110.468 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 59' ' ' TYR . 92.2 m95 -77.86 -67.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.927 -0.579 . . . . 2.18 109.996 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m 64.74 -68.75 0.1 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.932 0.77 . . . . 2.67 112.496 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -109.01 35.14 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.228 0.537 . . . . 2.77 110.299 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 30.2 p90 -64.01 132.87 51.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.478 -0.783 . . . . 4.26 110.36 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.59 174.79 14.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.745 0.307 . . . . 0.66 110.702 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.9 mm? -94.38 133.35 38.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.254 0.549 . . . . 1.22 111.09 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -110.58 110.66 21.45 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.56 109.166 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.82 108.74 16.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.888 -1.153 . . . . 0.35 107.888 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -67.64 -40.07 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 2.31 110.925 -172.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.31 -23.14 64.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.808 -0.633 . . . . 1.69 111.491 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -104.81 -13.92 15.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.556 -0.293 . . . . 1.1 110.924 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 57.05 41.78 26.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.316 0.579 . . . . 3.52 110.154 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -131.38 149.3 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.339 -0.846 . . . . 1.59 110.868 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 93' ' ' GLN . 88.7 m95 -95.7 135.75 36.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 0.57 109.235 176.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.78 104.26 13.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.001 0.429 . . . . 0.61 110.145 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -111.49 -1.37 15.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.757 -0.656 . . . . 0.73 109.528 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HD3' ' CE3' ' A' ' 75' ' ' TRP . 51.1 mttp -80.31 69.46 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.181 -0.918 . . . . 1.95 109.273 174.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.424 HG22 ' SD ' ' A' ' 43' ' ' MET . 34.0 p -65.19 -31.37 72.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.089 -0.96 . . . . 0.64 111.88 -173.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -85.33 -11.47 54.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 2.94 110.623 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.456 ' CE3' ' HD3' ' A' ' 72' ' ' LYS . 15.6 m0 -85.72 151.81 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.505 . . . . 0.76 109.887 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.5 p -94.23 175.9 6.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.628 -0.26 . . . . 0.38 111.088 -176.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -48.21 82.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.155 0.503 . . . . 0.62 109.884 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.48 -39.38 94.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.455 -0.793 . . . . 1.49 110.663 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 58.6 tptt -67.03 -39.23 86.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 1.69 111.262 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.83 -37.18 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.94 111.136 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.67 5.76 41.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.35 112.665 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.38 131.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.957 0.408 . . . . 0.33 110.449 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.56 -175.54 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.618 . . . . 2.37 110.268 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.0 65.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.43 . . . . 0.88 111.578 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.93 -16.23 55.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 2.14 111.197 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.31 137.33 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.448 -0.342 . . . . 0.48 111.453 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -74.79 107.94 7.21 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.072 -0.513 . . . . 1.92 110.049 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.682 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.9 tp -113.71 125.81 54.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.35 110.507 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.4 tp -104.99 137.62 42.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.774 -0.648 . . . . 0.39 109.532 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 61.3 t80 -109.22 109.7 20.71 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.524 -0.47 . . . . 0.4 109.882 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 6.5 t -142.67 142.14 22.13 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.262 -0.427 . . . . 0.6 110.447 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 55.9 Cg_endo -72.87 134.47 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.202 1.935 . . . . 1.04 111.804 174.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 69' ' ' TRP . 9.6 pt20 -96.66 77.66 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.44 0.638 . . . . 1.46 109.846 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -81.75 0.24 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.038 -0.528 . . . . 4.6 111.685 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -146.61 101.94 3.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.851 0.357 . . . . 6.92 110.753 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.187 -0.911 . . . . 8.34 109.781 177.712 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.459 -0.656 . . . . 26.14 111.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 40.0 pt -133.85 152.67 35.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.974 0.416 . . . . 24.82 111.074 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.31 123.74 25.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.78 -0.822 . . . . 23.21 108.78 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.39 108.12 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.01 2.473 . . . . 22.08 112.873 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -121.76 111.82 17.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.638 -0.71 . . . . 19.82 109.416 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 14.4 m -142.11 -77.32 0.27 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.626 -0.261 . . . . 18.37 111.039 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt 66.54 -66.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.571 0.748 . . . . 17.23 111.817 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -123.38 99.29 6.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.857 -0.423 . . . . 14.96 109.857 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -127.02 111.59 14.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.026 -0.534 . . . . 14.83 109.593 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 t -153.78 141.19 19.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.231 -0.441 . . . . 12.3 109.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.3 9.21 64.97 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.036 -0.602 . . . . 10.54 111.669 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.11 117.68 6.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.721 0.296 . . . . 8.98 110.519 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -115.67 29.72 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.453 -0.34 . . . . 9.0 110.845 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -62.74 -34.15 76.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 5.9 110.315 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -74.58 98.13 3.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.653 -0.703 . . . . 4.74 110.24 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.41 77.9 9.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.468 . . . . 1.97 110.302 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -110.31 120.58 42.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.464 0.65 . . . . 1.22 110.124 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CH2' HD23 ' A' ' 77' ' ' LEU . 5.4 p-90 -131.26 148.05 52.65 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.866 -1.061 . . . . 0.4 109.613 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HB2' HG22 ' A' ' 30' ' ' THR . 12.3 pt-20 -88.55 122.82 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.559 0.695 . . . . 2.4 110.543 -177.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' HA ' ' A' ' 84' ' ' ALA . 65.1 tp -111.86 118.0 34.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.081 -0.963 . . . . 0.76 110.146 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 28' ' ' GLU . 3.0 p -82.4 119.09 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.428 0.632 . . . . 0.96 109.981 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.605 ' HB ' HD21 ' A' ' 46' ' ' LEU . 41.1 t -106.16 122.23 59.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.31 109.2 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.3 mpt_? -81.68 111.32 17.84 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.147 -0.686 . . . . 3.03 109.147 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.547 ' HB ' ' HB ' ' A' ' 27' ' ' THR . 42.6 t -94.9 113.29 29.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 120.902 0.382 . . . . 0.46 110.966 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 125.36 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.965 -0.561 . . . . 0.89 109.553 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -100.89 76.02 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.224 -0.59 . . . . 0.99 110.323 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 42.6 38.67 1.35 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.931 -1.031 . . . . 1.79 113.697 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 HD21 ' HB2' ' A' ' 25' ' ' GLN . 33.5 p30 -155.03 -26.5 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.411 0.893 . . . . 4.01 113.411 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.62 -38.13 3.03 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.794 -0.717 . . . . 2.95 112.637 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.09 -28.03 61.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 6.14 111.602 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB2' HD21 ' A' ' 22' ' ' ASN . 72.2 mt-30 -110.63 93.04 4.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.897 -0.592 . . . . 3.74 110.381 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -113.29 112.17 23.27 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.301 -0.863 . . . . 1.75 109.699 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.547 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 21.6 m -86.74 141.56 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.535 -0.757 . . . . 0.66 110.902 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 15' ' ' VAL . 21.7 tt0 -98.65 110.66 23.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.027 0.442 . . . . 2.34 109.845 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.46 104.37 16.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.44 109.324 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 6.7 m -96.09 107.06 19.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.777 -0.647 . . . . 0.51 109.899 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.071 -0.513 . . . . 0.52 110.368 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.599 -1.26 . . . . 3.71 107.599 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.8 m -131.24 164.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.225 0.536 . . . . 0.43 111.85 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -126.91 157.21 40.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.52 109.743 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.66 ' HA3' ' OD2' ' A' ' 78' ' ' ASP . . . -61.87 -19.39 58.63 Favored Glycine 0 N--CA 1.454 -0.149 0 C-N-CA 121.151 -0.547 . . . . 0.49 113.562 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.75 -3.92 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.681 0.276 . . . . 2.21 111.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 77' ' ' LEU . 54.3 tp -83.63 139.09 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.681 -0.489 . . . . 0.3 109.681 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 45.6 p-80 -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.78 0.324 . . . . 0.44 111.115 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.0 mm -54.11 -41.78 52.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.561 -0.745 . . . . 0.26 112.593 -175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -31.11 66.3 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.992 -0.623 . . . . 0.27 112.349 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.42 -40.76 47.25 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.266 -0.733 . . . . 0.37 111.266 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 77' ' ' LEU . 41.4 t -61.32 -44.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.31 109.983 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.642 ' HA ' HD12 ' A' ' 46' ' ' LEU . 64.0 mtp -60.23 -39.44 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.485 -0.779 . . . . 1.26 110.941 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -71.25 -43.31 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 1.02 110.787 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.77 -28.52 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 1.22 111.192 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 43' ' ' MET . 42.7 mt -62.27 -51.67 66.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.339 -0.391 . . . . 0.96 110.897 176.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.54 -39.08 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.65 110.262 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.7 -43.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.803 -0.635 . . . . 2.36 110.608 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -66.19 -46.65 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.624 . . . . 1.34 110.537 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.541 ' HB3' HG13 ' A' ' 52' ' ' ILE . 73.6 mtm -66.92 -37.67 84.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.055 -0.521 . . . . 1.03 110.763 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.9 t30 65.36 23.09 12.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.655 0.741 . . . . 1.95 110.102 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.541 HG13 ' HB3' ' A' ' 50' ' ' MET . 75.9 mt -82.66 109.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 1.56 110.439 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.02 87.79 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.471 . . . . 2.71 110.945 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 52' ' ' ILE . 15.8 mm100 -124.09 179.55 4.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.757 -0.656 . . . . 3.75 109.643 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.79 83.49 4.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.477 . . . . 2.95 110.537 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.19 65.0 8.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 2.18 109.647 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -69.77 -50.79 39.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 2.67 110.605 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -94.41 -83.41 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.532 . . . . 2.77 111.359 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 5.5 p90 54.89 130.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.204 1.402 . . . . 4.26 112.906 -177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.26 159.67 40.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.66 110.634 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 88' ' ' LEU . 22.3 tp -92.75 141.83 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.559 -0.534 . . . . 1.22 109.559 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -123.91 123.0 39.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.091 0.472 . . . . 0.56 110.633 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.447 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.4 t90 -89.08 110.46 21.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.108 -0.701 . . . . 0.35 109.108 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.89 -35.83 79.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 2.31 111.727 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.748 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 87.6 mt-30 -84.84 3.48 37.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.57 -0.286 . . . . 1.69 111.712 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.7 -30.53 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.151 -0.22 . . . . 1.1 111.495 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 64.87 80.32 0.23 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.287 0.565 . . . . 3.52 110.291 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -168.76 148.19 4.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 1.59 109.831 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -96.04 122.63 39.07 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.57 109.002 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.8 mm? -75.49 103.5 5.65 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.552 -0.536 . . . . 0.61 109.552 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -108.16 -2.01 19.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.392 -0.966 . . . . 0.73 108.392 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 88.1 mttt -76.93 59.54 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.348 -1.296 . . . . 1.95 109.343 174.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -67.85 -25.46 65.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.64 111.374 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -89.67 0.39 56.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 2.94 110.688 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 11.4 m0 -92.39 144.19 25.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.76 109.367 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 53.9 p -84.82 169.75 13.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.945 0.402 . . . . 0.38 111.222 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD11 HG21 ' A' ' 42' ' ' VAL . 4.9 mp -58.07 -48.84 78.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.245 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.66 ' OD2' ' HA3' ' A' ' 35' ' ' GLY . 1.9 m-20 -70.53 -30.01 66.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.493 -0.322 . . . . 1.49 110.945 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 56.0 tptt -64.55 -40.99 96.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.98 0.419 . . . . 1.69 110.401 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -79.14 -33.16 44.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.94 110.61 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.66 20.02 20.7 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.684 -0.769 . . . . 0.35 112.415 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.34 118.54 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.33 110.576 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -105.93 -173.0 2.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.451 -0.795 . . . . 2.37 110.877 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -71.67 -30.25 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.411 . . . . 0.88 110.839 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.41 44.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.805 0.812 . . . . 2.14 109.867 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.54 127.6 37.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.302 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.748 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 5.1 m-20 -65.21 110.85 2.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.271 -0.422 . . . . 1.92 110.016 177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 61' ' ' LEU . 20.5 tp -123.79 127.04 47.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.48 -174.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' ARG . 25.3 tp -115.47 148.51 39.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.653 -0.703 . . . . 0.39 109.698 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -125.97 110.83 14.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.247 -0.649 . . . . 0.4 109.247 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -141.52 140.3 20.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.986 -0.552 . . . . 0.6 110.13 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 34.5 Cg_endo -65.79 132.62 31.1 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.243 1.962 . . . . 1.04 111.621 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -82.21 31.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.418 0.628 . . . . 1.46 110.267 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 92' ' ' PRO . 35.8 t-80 -79.15 53.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.157 -0.929 . . . . 4.6 110.209 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.55 28.15 8.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.05 0.928 . . . . 6.92 109.83 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 49.9 ttp . . . . . 0 C--O 1.25 1.118 0 CA-C-N 114.979 -1.009 . . . . 8.34 109.372 177.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.776 -0.53 . . . . 26.14 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 9.8 tp -123.12 -25.16 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.759 0.314 . . . . 24.82 110.982 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.795 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 26.4 t70 -71.44 -54.6 6.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 23.21 110.777 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.795 ' HD3' ' HB3' ' A' ' -3' ' ' ASP . 3.2 Cg_exo -77.64 105.2 1.99 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.074 1.849 . . . . 22.08 110.782 172.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -105.7 162.58 13.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.184 -0.462 . . . . 19.82 110.551 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 28.2 m -70.58 116.37 10.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 18.37 109.814 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.44 158.95 16.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 17.23 110.459 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.8 pt? -79.67 43.31 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.302 -0.408 . . . . 14.96 111.831 -174.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -60.63 -35.63 76.66 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.287 -0.635 . . . . 14.83 109.287 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -134.14 82.91 2.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.371 -0.831 . . . . 12.3 108.989 170.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.64 44.12 0.47 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.724 -0.671 . . . . 10.54 111.744 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -159.52 -77.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.802 -0.444 . . . . 8.98 109.802 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.4 mt 57.41 22.88 8.38 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.716 -0.674 . . . . 9.0 111.931 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 m -116.04 -54.88 2.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.117 -0.233 . . . . 5.9 110.622 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 m 62.13 27.57 16.6 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.662 0.601 . . . . 4.74 111.154 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.12 154.82 19.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 1.97 111.073 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -103.19 125.07 49.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.179 -0.675 . . . . 1.22 109.179 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.682 ' CH2' HD23 ' A' ' 77' ' ' LEU . 3.8 p-90 -102.49 161.45 13.71 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.757 -0.656 . . . . 0.4 111.541 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -81.58 110.53 17.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 2.4 111.167 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.6 tp -104.21 119.59 39.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.117 -0.697 . . . . 0.76 109.117 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -92.22 119.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.616 0.722 . . . . 0.96 109.994 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.586 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 57.0 t -116.09 112.69 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.469 -0.787 . . . . 0.31 109.337 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.746 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 39.3 mtm180 -87.28 111.55 21.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.011 -0.54 . . . . 3.03 110.093 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.7 t -83.17 112.03 20.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.762 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.35 105.32 17.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.485 -0.78 . . . . 0.89 109.583 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -72.01 156.55 39.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.01 -0.541 . . . . 0.99 109.748 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.24 -50.18 30.57 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.525 0.516 . . . . 1.79 112.221 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -136.63 172.2 13.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.447 0.641 . . . . 4.01 110.451 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.64 -17.4 58.98 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 114.94 -1.027 . . . . 2.95 111.597 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 49.21 72.04 0.33 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.432 0.634 . . . . 6.14 111.312 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -136.3 98.83 3.94 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.511 -0.768 . . . . 3.74 109.507 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -92.98 96.08 9.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.14 0.495 . . . . 1.75 110.252 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 26.6 m -78.41 128.04 33.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.54 -0.755 . . . . 0.66 110.286 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.4 mt-10 -97.7 101.1 12.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.164 0.506 . . . . 2.34 110.493 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.4 mm -96.85 122.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.509 -0.768 . . . . 0.44 110.181 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m -100.0 102.92 14.42 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.168 -0.469 . . . . 0.51 109.905 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' HG22 ' A' ' 29' ' ' ILE . 91.0 mt -104.4 140.55 37.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.24 -0.436 . . . . 0.52 110.541 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 32' ' ' ARG . 37.8 ttp180 -95.61 107.9 20.13 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.937 -0.764 . . . . 3.71 108.937 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.4 159.39 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.874 -0.603 . . . . 0.43 111.406 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -115.4 162.04 17.7 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.457 -0.571 . . . . 1.52 109.457 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -61.51 -25.83 65.69 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.401 -0.428 . . . . 0.49 114.167 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.82 -7.08 50.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.181 0.491 . . . . 2.21 111.82 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.5 tp -79.03 137.03 37.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.498 -0.556 . . . . 0.3 109.498 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -85.55 150.11 24.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.178 -0.209 . . . . 0.44 110.594 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.766 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.6 mm -54.32 -38.8 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 122.941 0.497 . . . . 0.26 112.162 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.63 -30.05 71.28 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.812 -0.709 . . . . 0.27 112.235 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.77 -35.44 54.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.209 -0.756 . . . . 0.37 111.209 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 77' ' ' LEU . 42.0 t -63.04 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.54 -0.541 . . . . 0.31 109.54 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.754 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 52.6 ttm -54.1 -47.37 71.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.573 -0.739 . . . . 1.26 110.612 177.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.9 -38.97 93.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.894 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.22 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.452 -0.34 . . . . 1.22 111.776 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.3 mm? -62.42 -46.84 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.96 110.269 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.97 -41.24 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.077 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.27 -38.34 83.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 2.36 111.399 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' HG23 ' A' ' 29' ' ' ILE . 60.5 tp60 -72.5 -31.75 65.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.292 -0.413 . . . . 1.34 111.598 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.441 ' HE1' HG11 ' A' ' 18' ' ' VAL . 69.8 mtm -95.13 -35.34 11.93 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.845 -0.342 . . . . 1.03 111.709 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 56.6 77.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.167 0.508 . . . . 1.95 111.202 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG22 ' HG2' ' A' ' 54' ' ' GLN . 9.6 mt -131.97 130.58 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.323 -0.621 . . . . 1.56 109.323 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.52 75.97 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.155 0.503 . . . . 2.71 110.66 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' HG22 ' A' ' 52' ' ' ILE . 14.7 mm100 -116.81 163.24 16.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.68 -0.691 . . . . 3.75 110.153 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.83 101.6 12.78 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.274 -1.009 . . . . 2.95 108.274 170.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -78.21 -20.17 52.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.614 -0.721 . . . . 2.18 110.795 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 m 55.34 -97.56 0.07 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.004 0.742 . . . . 2.67 113.004 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' HG3' ' A' ' 93' ' ' GLN . 18.8 p-10 -113.8 22.04 14.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 2.77 110.478 -173.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.17 142.07 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.118 -0.946 . . . . 4.26 111.252 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -156.33 175.65 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 0.66 111.576 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.3 mm? -91.77 142.14 27.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.923 -0.581 . . . . 1.22 110.998 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.409 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 22.3 t-105 -118.75 118.93 32.92 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.492 -0.776 . . . . 0.56 109.089 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.527 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -82.19 110.22 17.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.093 -1.077 . . . . 0.35 108.093 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.76 -36.62 80.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.575 -0.739 . . . . 2.31 111.543 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -74.09 -31.03 62.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.998 -0.546 . . . . 1.69 111.741 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 74.9 mmtt -103.35 -11.19 18.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.1 110.776 -175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 58.6 mtp180 58.06 55.0 5.5 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.385 0.612 . . . . 3.52 110.558 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.0 p -145.73 151.58 38.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 1.59 110.566 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -94.48 132.52 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.35 -0.611 . . . . 0.57 109.35 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.4 mm? -82.37 103.16 11.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.093 0.473 . . . . 0.61 109.747 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.2 mt -103.33 4.39 36.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.61 -0.885 . . . . 0.73 108.61 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 60.8 mttp -85.35 51.45 2.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.395 -1.275 . . . . 1.95 109.577 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.766 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 23.7 p -67.5 -27.46 67.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.64 111.464 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.17 -15.14 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.326 0.584 . . . . 2.94 110.156 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 8.9 m0 -87.0 151.64 23.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.769 -0.65 . . . . 0.76 109.638 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.887 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.8 p -85.48 166.64 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.385 -0.37 . . . . 0.38 111.049 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -58.14 -43.17 87.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 0.62 110.435 176.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.4 -33.98 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 1.49 110.695 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -67.92 -44.84 75.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.69 110.354 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.23 -52.4 23.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.94 111.065 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.44 5.41 12.75 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.582 -0.818 . . . . 0.35 112.687 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.84 114.99 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.183 0.516 . . . . 0.33 110.311 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.0 -166.6 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.766 -0.652 . . . . 2.37 111.215 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 12' ' ' TRP . . . -61.73 -32.67 72.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.921 0.711 . . . . 0.88 112.921 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -80.36 2.12 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.599 0.238 . . . . 2.14 111.614 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.2 127.38 41.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.029 0.442 . . . . 0.48 112.011 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.38 116.63 14.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.74 -0.663 . . . . 1.92 109.927 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.2 tp -116.94 131.03 57.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.125 0.488 . . . . 0.35 110.375 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 17' ' ' ARG . 21.8 tp -111.36 137.17 49.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.39 109.473 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.754 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 2.8 t80 -110.14 107.55 17.41 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.4 108.805 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 t -144.5 150.08 46.29 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.453 -0.34 . . . . 0.6 110.477 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.37 133.73 16.39 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.918 1.745 . . . . 1.04 111.666 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 10.6 pt20 -89.32 11.46 18.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.058 0.456 . . . . 1.46 110.625 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -54.62 21.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 4.6 109.936 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 67.23 124.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 124.108 0.88 . . . . 6.92 112.284 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.27 -0.871 . . . . 8.34 109.992 177.813 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.432 -0.667 . . . . 26.14 111.432 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 58.4 mt 60.23 79.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.546 0.689 . . . . 24.82 109.296 -173.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -116.8 134.48 22.94 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.538 -0.755 . . . . 23.21 110.718 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.51 -41.12 3.54 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.862 2.374 . . . . 22.08 111.511 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.16 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.826 -0.625 . . . . 19.82 109.747 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.535 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.3 m 74.21 140.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.021 0.825 . . . . 18.37 110.514 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HG2' HG22 ' A' ' 0' ' ' THR . 25.5 mmt 76.0 -0.97 3.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.258 0.623 . . . . 17.23 111.869 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.98 -76.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.282 -0.636 . . . . 14.96 109.282 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -117.69 -47.84 2.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.094 -1.076 . . . . 14.83 108.094 170.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 p -140.81 -79.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.51 -1.223 . . . . 12.3 108.733 173.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 0' ' ' THR . . . -125.04 -68.75 0.19 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.796 -0.922 . . . . 10.54 110.796 173.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -135.7 149.87 49.38 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.429 -0.582 . . . . 8.98 109.429 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -92.43 116.52 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.856 0.36 . . . . 9.0 110.083 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -127.58 152.57 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 5.9 110.419 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 m -146.74 -25.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.874 0.369 . . . . 4.74 111.264 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 21.6 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.443 0.64 . . . . 1.97 110.601 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 20.3 t -166.06 115.95 0.99 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.719 -1.128 . . . . 1.22 108.369 177.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 5.0 p-90 -147.8 149.4 32.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.418 -0.81 . . . . 0.4 110.658 -169.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER -83.78 124.67 31.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.413 0.625 . . . . 2.4 110.379 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 84' ' ' ALA . 54.7 tp -119.48 119.55 34.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.306 -0.861 . . . . 0.76 109.889 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 7.5 p -85.36 120.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.324 0.583 . . . . 0.96 109.48 174.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 46' ' ' LEU . 47.5 t -111.17 126.59 68.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.774 -0.648 . . . . 0.31 109.592 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HD12 ' A' ' 89' ' ' LEU . 83.3 mtp180 -86.93 112.14 21.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.209 -0.451 . . . . 3.03 110.119 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' PHE . 61.7 t -85.45 115.56 27.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.46 110.178 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.8 t70 -96.47 104.15 16.11 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.324 -0.621 . . . . 0.89 109.324 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -76.51 90.28 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.575 -0.528 . . . . 0.99 109.575 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.26 138.93 57.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 1.79 110.257 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.1 t30 67.86 11.71 8.49 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.822 0.701 . . . . 4.01 110.144 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.36 -149.03 10.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.123 -0.56 . . . . 2.95 112.076 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.99 -1.35 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.262 0.468 . . . . 6.14 112.262 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -126.99 141.99 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.048 0.452 . . . . 3.74 111.569 -175.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -110.87 106.86 16.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.87 -0.789 . . . . 1.75 108.87 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 m -88.42 124.82 34.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.159 -0.473 . . . . 0.66 110.766 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.11 120.94 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.366 0.603 . . . . 2.34 109.592 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.544 HG22 ' HG ' ' A' ' 31' ' ' LEU . 50.0 mm -116.24 120.81 65.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.48 -0.782 . . . . 0.44 110.466 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 26.1 m -100.86 103.78 14.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.51 110.218 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HG ' HG22 ' A' ' 29' ' ' ILE . 82.6 mt -111.45 140.77 45.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.865 -0.607 . . . . 0.52 109.654 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 36.8 ttm180 -91.91 113.44 25.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.042 -0.725 . . . . 3.71 109.042 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.29 149.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.244 -0.889 . . . . 0.43 110.533 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 14.1 m -98.25 157.69 16.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.746 -0.661 . . . . 1.52 109.753 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -62.15 -25.53 66.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.888 -0.672 . . . . 0.49 112.861 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.09 10.68 28.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.635 0.255 . . . . 2.21 111.518 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 56.4 tp -89.48 124.5 34.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.3 110.206 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.3 p-80 -80.34 150.85 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.073 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.532 HG21 ' HB3' ' A' ' 70' ' ' LEU . 18.5 mm -50.27 -44.81 23.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.745 0.818 . . . . 0.26 112.447 -175.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.71 -34.09 75.49 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.817 -0.706 . . . . 0.27 112.587 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.03 61.61 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.343 -0.703 . . . . 0.37 111.343 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.98 -48.28 79.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.548 -0.538 . . . . 0.31 109.548 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.8 mtp -55.93 -42.47 76.15 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.509 -0.768 . . . . 1.26 111.423 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.81 -42.08 95.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.972 -0.558 . . . . 1.02 110.59 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.48 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.455 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.1 mm? -59.37 -52.12 66.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.796 0.332 . . . . 0.96 110.434 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.69 -43.29 98.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.65 110.567 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -65.14 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 2.36 111.319 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.6 tp60 -60.44 -50.27 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 1.34 110.692 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HE3' ' HB2' ' A' ' 50' ' ' MET . 62.5 mtm -72.84 -27.76 62.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.03 110.124 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 54.01 74.37 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.945 -1.025 . . . . 1.95 111.114 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -129.66 106.51 13.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 1.56 110.159 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.68 101.2 8.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 2.71 110.129 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -160.12 172.38 17.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.897 -0.592 . . . . 3.75 109.899 -177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.79 109.39 14.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.584 -0.524 . . . . 2.95 109.584 172.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 80.4 m95 -87.83 9.88 20.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.997 -0.547 . . . . 2.18 111.011 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 52.62 39.06 27.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.211 0.529 . . . . 2.67 109.867 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.4 95.32 0.05 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.741 -1.118 . . . . 2.77 110.42 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 25.5 p90 -77.43 134.45 38.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.103 -0.953 . . . . 4.26 110.22 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.68 159.91 41.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 0.66 110.892 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 11.8 tp -93.24 133.76 36.13 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.83 -0.623 . . . . 1.22 109.752 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -113.34 122.7 48.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.083 -0.508 . . . . 0.56 110.648 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.497 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -96.08 109.76 22.12 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.686 -0.857 . . . . 0.35 108.686 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 2.31 111.608 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.99 -4.94 38.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 1.69 111.814 -172.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -123.47 -12.62 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.137 -0.32 . . . . 1.1 110.137 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 51.04 65.73 1.39 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.598 -0.728 . . . . 3.52 110.339 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -148.65 148.05 29.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.394 -0.821 . . . . 1.59 110.404 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 84.8 m95 -96.77 126.58 42.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.57 108.797 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HB3' HG21 ' A' ' 39' ' ' ILE . 4.0 mm? -70.87 103.48 2.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.249 0.547 . . . . 0.61 110.033 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -109.91 4.07 21.18 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.623 -0.88 . . . . 0.73 108.623 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 43.0 mmtm -86.96 56.37 3.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.566 -1.197 . . . . 1.95 108.735 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.51 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 17.6 p -62.13 -25.99 68.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.549 -0.751 . . . . 0.64 112.166 -172.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -84.1 -16.07 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 2.94 110.615 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.462 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.6 m0 -79.54 149.27 31.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.76 109.937 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.728 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.5 p -89.79 173.09 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.696 -0.229 . . . . 0.38 110.503 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -57.53 -49.22 77.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.242 0.544 . . . . 0.62 110.05 176.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.36 -41.65 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.174 -0.921 . . . . 1.49 110.774 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 85.9 tttt -65.96 -41.52 91.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.69 111.261 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.28 -40.33 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.447 -0.342 . . . . 0.94 110.672 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.98 15.16 17.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.647 -0.787 . . . . 0.35 112.42 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.75 121.3 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.305 0.574 . . . . 0.33 110.564 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.515 ' HG3' ' H ' ' A' ' 85' ' ' ASP . 15.7 pt20 -112.68 -176.88 3.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 2.37 110.36 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.88 111.549 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.515 ' H ' ' HG3' ' A' ' 83' ' ' GLN . 5.0 m-20 -89.43 -14.11 36.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 2.14 110.561 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.77 130.85 35.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.073 -0.512 . . . . 0.48 111.04 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.7 110.63 6.38 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.601 -0.518 . . . . 1.92 109.601 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 15.3 tp -113.0 129.48 56.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.703 -0.681 . . . . 0.35 110.387 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 17' ' ' ARG . 12.8 tp -112.72 148.0 35.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.737 -0.665 . . . . 0.39 109.452 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 54.1 t80 -126.72 110.78 13.51 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.734 -0.469 . . . . 0.4 109.734 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.1 t -142.55 147.23 41.92 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.435 -0.348 . . . . 0.6 111.016 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.566 ' HB3' ' O ' ' A' ' 56' ' ' TRP . 53.4 Cg_exo -54.58 127.89 27.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 1.04 110.668 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 12.3 pt20 -72.49 -31.75 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.44 -0.504 . . . . 1.46 110.661 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 35.62 78.11 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.055 0.847 . . . . 4.6 111.72 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -51.65 115.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.016 -0.993 . . . . 6.92 111.578 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.574 -0.727 . . . . 8.34 110.24 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.852 -0.499 . . . . 26.14 111.852 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' -4' ' ' ILE . 3.9 mp -94.61 -46.71 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.325 -0.62 . . . . 24.82 109.325 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.5 131.01 22.03 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.438 -0.801 . . . . 23.21 109.649 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.422 ' HB2' ' O ' ' A' ' 1' ' ' MET . 51.2 Cg_exo -56.73 109.42 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.005 2.47 . . . . 22.08 112.278 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.64 112.18 2.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.36 -0.836 . . . . 19.82 111.286 -174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 0' ' ' THR . 10.7 m 66.69 12.86 9.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.626 -0.716 . . . . 18.37 111.617 175.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' -2' ' ' PRO . 51.9 ttm -123.54 99.32 6.25 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.663 -0.648 . . . . 17.23 110.983 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 64.86 10.01 5.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.822 -0.627 . . . . 14.96 111.47 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -135.13 94.46 3.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.949 -0.76 . . . . 14.83 108.949 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -99.8 -26.17 14.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 12.3 110.4 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.56 110.6 1.19 Allowed Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.587 -0.733 . . . . 10.54 111.27 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -91.61 -12.69 33.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.038 0.447 . . . . 8.98 109.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.4 tp -100.29 96.85 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 9.0 109.955 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 t -171.38 107.38 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.739 -0.664 . . . . 5.9 110.231 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m -113.1 92.57 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.152 -0.476 . . . . 4.74 110.186 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.08 80.77 0.12 Allowed 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.687 0.617 . . . . 1.97 110.641 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -118.37 136.06 53.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.538 0.685 . . . . 1.22 111.007 -174.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.7 p-90 -144.34 156.15 44.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.747 -1.115 . . . . 0.4 109.905 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.58 108.56 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.577 0.703 . . . . 2.4 111.306 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 62.8 tp -91.84 125.65 36.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.362 -0.835 . . . . 0.76 110.224 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 p -95.51 120.11 44.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.354 0.597 . . . . 0.96 109.667 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.1 t -117.6 128.31 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.722 -0.672 . . . . 0.31 109.975 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.702 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 51.7 mtp180 -91.0 120.7 32.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.065 -0.516 . . . . 3.03 109.896 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG11 ' HE1' ' A' ' 50' ' ' MET . 46.9 t -87.75 121.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 120.921 0.391 . . . . 0.46 111.05 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.753 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 16.9 t70 -97.28 106.24 18.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.376 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.35 111.8 14.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.143 -0.48 . . . . 0.99 110.007 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 107.78 0.67 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 1.79 110.506 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 65.11 84.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.013 0.821 . . . . 4.01 109.955 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.32 159.25 14.58 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.655 -0.702 . . . . 2.95 111.605 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -97.94 166.75 11.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.449 0.166 . . . . 6.14 111.185 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 64.36 100.29 0.04 OUTLIER 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.024 0.827 . . . . 3.74 111.833 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -77.42 154.86 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.732 -0.84 . . . . 1.75 108.732 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -117.16 124.56 49.44 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.854 -0.338 . . . . 0.66 111.416 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.4 mp0 -98.42 107.76 20.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.822 -0.436 . . . . 2.34 109.822 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.496 HG22 ' HG ' ' A' ' 31' ' ' LEU . 43.8 mm -105.88 132.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.22 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.9 m -107.96 111.18 23.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.977 0.417 . . . . 0.51 110.22 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 29' ' ' ILE . 97.4 mt -116.1 145.25 43.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.496 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -91.15 109.79 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.266 -0.642 . . . . 3.71 109.266 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.37 164.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.545 -0.752 . . . . 0.43 110.613 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -118.2 165.18 14.12 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.776 -0.453 . . . . 1.52 109.776 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.92 -25.12 74.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.675 -0.774 . . . . 0.49 112.79 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -85.55 -2.37 58.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.977 0.417 . . . . 2.21 111.062 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.9 tp -76.32 127.54 33.07 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.3 109.069 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.905 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 16.8 p-80 -86.01 155.47 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.658 -0.417 . . . . 0.44 110.752 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.801 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.4 mm -50.86 -42.78 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.689 -0.687 . . . . 0.26 112.637 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.665 ' HA2' ' HE2' ' A' ' 43' ' ' MET . . . -56.11 -37.08 70.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.155 -0.545 . . . . 0.27 113.043 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.61 -35.64 67.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.924 -0.655 . . . . 0.37 111.846 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 77' ' ' LEU . 40.8 t -64.42 -47.27 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.713 0.292 . . . . 0.31 110.218 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.665 ' HE2' ' HA2' ' A' ' 40' ' ' GLY . 31.6 mtm -59.81 -37.73 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 1.26 110.741 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.2 tp -64.13 -45.31 89.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 1.02 110.498 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -64.15 -32.05 73.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 1.22 111.339 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -58.3 -45.05 88.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.007 0.432 . . . . 0.96 110.418 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.37 -43.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 0.65 110.522 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.1 mt-10 -61.7 -35.9 79.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.287 -0.415 . . . . 2.36 111.128 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 24.6 tp60 -61.36 -45.16 95.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.87 -0.604 . . . . 1.34 111.396 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.592 ' HB3' HG13 ' A' ' 52' ' ' ILE . 60.7 mtm -86.1 -46.94 9.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.03 111.208 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 56.77 41.93 27.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.503 0.668 . . . . 1.95 110.433 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.592 HG13 ' HB3' ' A' ' 50' ' ' MET . 65.0 mt -88.01 142.45 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.681 . . . . 1.56 110.219 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 71.87 8.12 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.239 0.542 . . . . 2.71 111.202 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -141.76 144.42 33.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.787 -0.642 . . . . 3.75 109.28 176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.34 121.7 27.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.302 0.572 . . . . 2.95 111.743 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.709 ' HE3' ' HG3' ' A' ' 92' ' ' PRO . 48.8 m95 -93.2 -36.54 12.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.287 -0.87 . . . . 2.18 108.95 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t 62.99 -81.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.887 -1.051 . . . . 2.67 110.758 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' HB2' ' HB2' ' A' ' 94' ' ' HIS . 3.6 m-20 -109.56 79.05 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.386 -0.598 . . . . 2.77 109.386 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 36.6 p90 -76.66 132.22 39.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.826 -0.624 . . . . 4.26 110.232 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' SD ' ' A' ' 43' ' ' MET . . . -145.16 157.83 43.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.66 111.06 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 88' ' ' LEU . 10.2 tp -95.57 138.91 32.58 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.577 -0.527 . . . . 1.22 109.577 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -122.27 119.59 31.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.993 0.425 . . . . 0.56 110.385 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.3 t90 -83.96 111.02 18.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.728 -0.841 . . . . 0.35 108.728 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 89' ' ' LEU . 4.5 mm-40 -66.44 -42.84 87.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 2.31 111.517 -175.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 91.0 mt-30 -63.14 -27.44 69.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 1.69 111.449 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.51 -9.26 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.233 -0.439 . . . . 1.1 111.311 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 14.0 ptp180 38.31 72.77 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.028 0.918 . . . . 3.52 110.776 -168.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -150.49 149.57 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.876 -1.057 . . . . 1.59 110.262 -171.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -95.17 126.2 40.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.162 -0.681 . . . . 0.57 109.162 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 mm? -77.78 103.26 7.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.134 0.492 . . . . 0.61 109.752 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -105.05 -8.72 18.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.885 -0.783 . . . . 0.73 108.885 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -79.24 52.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.712 -1.131 . . . . 1.95 109.175 173.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.801 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 32.7 p -66.05 -22.24 66.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 0.64 111.465 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -86.45 -10.57 53.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 2.94 110.6 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.464 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 12.9 m0 -86.88 149.13 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.76 109.779 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.905 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 77.7 p -85.5 166.7 16.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.393 -0.367 . . . . 0.38 111.103 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 42' ' ' VAL . 5.0 mp -57.48 -44.15 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.639 . . . . 0.62 110.923 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.94 -34.26 71.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.086 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 21.2 tptm -70.78 -33.01 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 1.69 110.572 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.2 m -77.28 -38.98 49.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 0.94 110.391 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.91 15.37 24.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.745 -0.74 . . . . 0.35 112.704 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.02 128.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.777 0.323 . . . . 0.33 110.337 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -122.01 -168.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 2.37 110.518 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.06 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.394 0.516 . . . . 0.88 112.394 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.36 -8.22 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.923 0.392 . . . . 2.14 110.58 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -83.21 125.63 31.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.43 . . . . 0.48 110.753 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -68.89 109.67 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.197 -0.668 . . . . 1.92 109.197 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 61' ' ' LEU . 20.9 tp -119.08 137.58 53.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.35 110.625 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 17' ' ' ARG . 15.6 tp -117.62 151.92 36.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.756 -0.657 . . . . 0.39 109.527 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.659 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.8 t80 -124.9 111.57 15.61 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.561 -0.533 . . . . 0.4 109.561 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.753 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -141.17 140.13 20.46 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.44 -0.346 . . . . 0.6 110.699 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.709 ' HG3' ' HE3' ' A' ' 56' ' ' TRP . 22.8 Cg_exo -63.94 126.17 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.537 2.158 . . . . 1.04 111.748 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -79.83 -2.98 45.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.046 0.451 . . . . 1.46 110.214 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . 33.8 t-80 -82.04 51.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.67 0.748 . . . . 4.6 110.118 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.46 29.28 3.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.809 0.814 . . . . 6.92 108.839 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.379 -1.282 . . . . 8.34 109.948 -176.037 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.841 -0.504 . . . . 26.14 111.841 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.03 -43.27 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.295 0.569 . . . . 24.82 109.528 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -100.17 112.65 64.5 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.402 -0.817 . . . . 23.21 109.833 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.0 -51.44 7.84 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.507 2.138 . . . . 22.08 111.462 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -169.11 122.51 0.8 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 19.82 110.135 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 42.4 m -75.98 104.35 6.47 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.495 -0.557 . . . . 18.37 109.495 175.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp -94.87 114.72 26.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 17.23 111.341 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -138.91 -34.72 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.836 -0.802 . . . . 14.96 108.836 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m 68.28 23.85 7.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.224 -0.898 . . . . 14.83 111.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -150.87 73.07 1.1 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.505 0.669 . . . . 12.3 109.567 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.91 5.84 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.449 -0.796 . . . . 10.54 111.751 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.46 -47.16 6.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 8.98 110.235 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -108.18 82.8 1.68 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 9.0 110.132 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -100.56 -7.59 23.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.879 -0.6 . . . . 5.9 109.797 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -59.18 113.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.466 -0.788 . . . . 4.74 110.372 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.13 65.01 1.26 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.984 -0.553 . . . . 1.97 110.562 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 22.0 t -118.99 132.7 56.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.744 -0.662 . . . . 1.22 110.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.622 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.4 p-90 -137.57 156.62 47.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.391 -0.822 . . . . 0.4 110.272 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.72 112.36 20.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.976 0.417 . . . . 2.4 110.459 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.4 tp -102.83 129.6 49.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.76 110.299 -178.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 120.08 49.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.21 0.529 . . . . 0.96 110.19 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.564 ' HB ' HD11 ' A' ' 46' ' ' LEU . 83.4 t -112.27 123.75 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.601 . . . . 0.31 110.014 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 89' ' ' LEU . 78.3 mtp180 -88.19 111.24 21.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.077 -0.511 . . . . 3.03 109.901 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.0 t -86.09 124.02 39.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.067 0.46 . . . . 0.46 110.946 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' HB2' HD11 ' A' ' 89' ' ' LEU . 23.7 t70 -96.55 101.21 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.89 109.406 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -79.9 98.41 7.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.63 -0.713 . . . . 0.99 109.626 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.14 70.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 1.79 111.499 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -96.85 -11.96 24.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 4.01 110.673 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 -156.26 28.86 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.475 -0.65 . . . . 2.95 111.475 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.58 -49.78 0.66 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.993 0.396 . . . . 6.14 110.937 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -69.96 115.18 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.825 -0.625 . . . . 3.74 111.114 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -74.26 110.67 8.74 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.823 -0.626 . . . . 1.75 109.905 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -89.52 120.68 31.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 0.66 110.663 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.5 106.99 19.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.526 0.679 . . . . 2.34 109.516 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG22 ' HG ' ' A' ' 31' ' ' LEU . 41.1 mm -100.13 129.69 50.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.514 -0.766 . . . . 0.44 110.958 -175.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.4 m -102.19 109.96 21.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.009 -0.541 . . . . 0.51 109.842 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' HG22 ' A' ' 29' ' ' ILE . 79.9 mt -113.61 139.12 49.28 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.853 -0.612 . . . . 0.52 109.956 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -92.23 108.85 20.26 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.756 -0.831 . . . . 3.71 108.756 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.89 163.44 25.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.536 -0.756 . . . . 0.43 110.981 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 4.6 p -104.33 156.65 17.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.236 -0.438 . . . . 1.52 109.957 177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.67 -27.26 72.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.282 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.79 10.1 22.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.094 0.473 . . . . 2.21 111.098 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.7 tp -82.52 131.04 35.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.623 -0.51 . . . . 0.3 109.623 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 46.4 p-80 -75.64 146.91 39.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.44 110.754 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.743 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 17.0 mm -53.77 -37.49 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.924 -0.58 . . . . 0.26 112.051 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -27.74 65.09 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.006 -0.616 . . . . 0.27 112.812 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.93 -37.48 38.54 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.929 -0.653 . . . . 0.37 111.498 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 77' ' ' LEU . 47.6 t -63.85 -44.23 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 110.013 -0.365 . . . . 0.31 110.013 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 47.5 ttm -52.54 -41.4 63.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.743 -0.662 . . . . 1.26 110.937 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 57.9 tp -68.88 -42.5 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 1.02 110.877 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.82 -33.4 75.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.22 112.043 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.7 mm? -59.71 -44.21 93.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.441 . . . . 0.96 110.168 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.31 -37.02 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.65 110.684 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 50.8 mt-10 -70.11 -46.6 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.209 -0.45 . . . . 2.36 111.368 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 29' ' ' ILE . 6.3 tp-100 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.468 -0.333 . . . . 1.34 111.198 -176.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.8 mtm -72.57 -28.22 62.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.918 -0.401 . . . . 1.03 109.918 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 t30 55.67 70.24 0.65 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.121 -0.945 . . . . 1.95 110.965 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.429 ' HB ' ' HZ2' ' A' ' 56' ' ' TRP . 56.2 mt -130.67 102.03 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.488 -0.778 . . . . 1.56 110.021 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.44 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.042 0.449 . . . . 2.71 110.457 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.51 174.98 10.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.809 -0.632 . . . . 3.75 110.307 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.25 98.3 10.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.996 -0.742 . . . . 2.95 108.996 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.429 ' HZ2' ' HB ' ' A' ' 52' ' ' ILE . 90.2 m95 -90.14 -14.49 33.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.919 -0.582 . . . . 2.18 110.443 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m 60.63 -137.29 0.62 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.902 -0.59 . . . . 2.67 109.844 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -74.36 -59.77 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.708 -0.397 . . . . 2.77 110.004 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' OH ' ' HD3' ' A' ' 92' ' ' PRO . 0.3 OUTLIER 65.57 166.96 0.19 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.834 0.708 . . . . 4.26 110.644 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -174.19 174.26 2.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.043 0.449 . . . . 0.66 111.95 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.6 mm? -95.5 137.12 35.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.511 -0.768 . . . . 1.22 110.168 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.406 ' HZ2' HH11 ' A' ' 67' ' ' ARG . 57.7 t-105 -108.45 114.68 28.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.997 -0.547 . . . . 0.56 109.548 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -85.39 110.69 19.31 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.612 -0.884 . . . . 0.35 108.612 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.3 -55.14 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 2.31 111.626 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.15 -39.12 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.329 0.492 . . . . 1.69 112.329 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -87.71 -13.07 43.46 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.747 0.277 . . . . 1.1 111.747 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.406 HH11 ' HZ2' ' A' ' 62' ' ' TRP . 35.0 mmt180 54.37 64.99 1.63 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.138 0.494 . . . . 3.52 110.208 -174.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -144.96 145.89 31.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 1.59 110.988 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -98.43 122.69 41.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.57 109.11 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 mm? -77.79 101.19 6.59 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.185 -0.606 . . . . 0.61 109.381 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.0 -5.03 11.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.186 -0.915 . . . . 0.73 109.034 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -84.5 66.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.812 -1.086 . . . . 1.95 108.17 174.601 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.743 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 10.5 p -74.03 -14.25 60.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.235 -0.893 . . . . 0.64 111.98 -172.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -82.85 -21.4 34.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.972 0.415 . . . . 2.94 109.952 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.9 m0 -75.67 154.05 36.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.575 -0.739 . . . . 0.76 109.667 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.3 p -93.87 168.85 10.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.377 -0.374 . . . . 0.38 110.841 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 42' ' ' VAL . 5.7 mp -55.62 -49.92 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.62 110.964 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.09 -33.74 75.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.63 . . . . 1.49 110.619 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.7 tptt -66.84 -39.71 87.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 1.69 110.688 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.3 m -74.57 -34.58 62.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 0.94 110.712 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.15 2.22 35.92 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.741 -0.742 . . . . 0.35 112.913 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.55 128.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.977 0.418 . . . . 0.33 110.581 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 48.5 mt-30 -123.9 -172.98 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 2.37 110.657 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.3 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.64 0.607 . . . . 0.88 112.64 -171.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -97.85 6.93 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.886 0.374 . . . . 2.14 111.305 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.1 129.66 42.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.35 . . . . 0.48 110.588 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -70.22 100.64 1.72 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.875 -0.417 . . . . 1.92 109.875 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.2 tp -109.09 124.69 51.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.35 110.533 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 17' ' ' ARG . 32.2 tp -104.36 136.27 44.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.72 -0.673 . . . . 0.39 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 6.0 t80 -107.06 108.08 19.39 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.802 -0.814 . . . . 0.4 108.802 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.6 t -142.41 149.54 51.53 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.874 -0.417 . . . . 0.6 109.874 -174.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 36.0 Cg_endo -66.2 133.06 31.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.268 1.978 . . . . 1.04 111.722 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.61 77.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.701 0.763 . . . . 1.46 110.42 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -80.14 -34.02 38.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.729 -1.123 . . . . 4.6 109.996 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -121.97 78.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.885 -0.598 . . . . 6.92 110.198 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.492 -0.766 . . . . 8.34 109.982 177.8 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.752 -0.539 . . . . 26.14 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 44.4 mt -80.16 80.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.318 -0.623 . . . . 24.82 109.318 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.599 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 29.2 m-20 -108.3 -56.11 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 23.21 111.229 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 73.8 Cg_endo -76.51 100.99 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.745 1.63 . . . . 22.08 112.174 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -100.55 106.17 17.66 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.274 -0.639 . . . . 19.82 109.274 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 8.7 m -57.28 117.48 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 18.37 111.035 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.55 135.12 54.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 17.23 110.243 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 2' ' ' LEU . 2.8 mm? -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 14.96 110.14 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -83.43 107.55 16.0 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.052 -0.522 . . . . 14.83 109.684 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 71.51 -66.6 0.29 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.873 0.733 . . . . 12.3 109.727 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.29 58.1 16.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.429 -0.415 . . . . 10.54 112.741 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -110.21 25.6 11.61 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.108 -0.237 . . . . 8.98 111.088 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.5 pt? -63.33 131.0 46.87 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.874 -0.787 . . . . 9.0 108.874 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -161.05 138.0 8.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.273 0.559 . . . . 5.9 112.157 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.6 -35.12 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.642 -0.708 . . . . 4.74 109.317 170.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.89 118.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.081 -0.963 . . . . 1.97 109.762 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 m -94.62 133.9 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 1.22 110.311 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.543 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 5.6 p-90 -145.4 150.27 36.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.737 -0.665 . . . . 0.4 110.598 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -75.73 124.68 27.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 2.4 110.617 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.7 tp -120.01 121.73 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.962 -0.563 . . . . 0.76 110.137 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.72 119.57 38.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.275 0.56 . . . . 0.96 110.004 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 46' ' ' LEU . 44.4 t -115.1 127.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.675 -0.693 . . . . 0.31 109.377 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.678 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.9 mtt180 -93.59 111.7 23.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.345 -0.389 . . . . 3.03 110.101 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG11 ' HE1' ' A' ' 50' ' ' MET . 42.2 t -86.43 115.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.654 -0.498 . . . . 0.46 109.654 177.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB2' HD11 ' A' ' 89' ' ' LEU . 11.7 t70 -95.85 100.78 12.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.165 -0.68 . . . . 0.89 109.165 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.811 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 46.8 m-70 -82.56 97.9 8.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.798 -0.637 . . . . 0.99 109.585 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.06 62.08 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 1.79 110.993 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 76.3 m-20 -132.62 -88.86 0.43 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.55 -0.75 . . . . 4.01 109.128 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 22' ' ' ASN . . . -146.29 25.88 1.71 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.635 -1.386 . . . . 2.95 109.635 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 23.8 mt-10 -113.17 -171.1 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.684 -0.758 . . . . 6.14 110.208 -173.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -119.23 -175.51 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.438 -0.346 . . . . 3.74 110.214 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -77.96 107.21 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.99 0.424 . . . . 1.75 110.342 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -78.69 120.77 23.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 0.66 109.951 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.678 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 50.8 mt-10 -97.31 106.16 18.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.671 -0.492 . . . . 2.34 109.671 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -107.74 126.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.682 -0.69 . . . . 0.44 110.617 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 m -91.38 114.05 26.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.51 109.35 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -108.49 145.48 34.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.12 -0.491 . . . . 0.52 110.581 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -91.79 108.08 19.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.074 -1.084 . . . . 3.71 108.074 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -131.29 166.02 29.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.933 -0.576 . . . . 0.43 111.105 -172.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -140.75 162.39 35.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.775 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.556 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -59.79 -25.12 61.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.821 -0.704 . . . . 0.49 112.702 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -76.65 -11.68 59.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.689 0.28 . . . . 2.21 111.384 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 77' ' ' LEU . 45.9 tp -80.86 135.51 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.824 -0.435 . . . . 0.3 109.824 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.749 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.3 p-80 -87.03 150.16 24.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.398 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.5 mm -52.43 -39.04 27.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 C-N-CA 123.014 0.526 . . . . 0.26 112.234 -176.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.34 -30.76 68.41 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.015 -0.612 . . . . 0.27 112.418 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.67 -29.42 52.29 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.917 -0.658 . . . . 0.37 111.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 77' ' ' LEU . 38.4 t -66.91 -48.06 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.355 . . . . 0.31 110.148 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 46' ' ' LEU . 56.7 mtm -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 1.26 110.435 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.83 -47.66 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.02 109.965 175.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.761 ' HA ' ' HG2' ' A' ' 48' ' ' GLU . 40.2 mttp -62.66 -33.78 75.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 1.22 111.346 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 43' ' ' MET . 45.4 mt -60.38 -49.27 78.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 0.96 110.775 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.78 -43.51 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.359 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.761 ' HG2' ' HA ' ' A' ' 45' ' ' LYS . 8.3 pt-20 -72.2 -30.48 64.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.184 -0.206 . . . . 2.36 111.43 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.02 -53.96 21.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.833 0.349 . . . . 1.34 110.48 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HB3' HG13 ' A' ' 52' ' ' ILE . 72.1 mtm -65.42 -48.02 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.03 110.083 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 53.23 58.65 5.06 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.655 -0.702 . . . . 1.95 110.375 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' ' 50' ' ' MET . 64.9 mt -100.25 139.46 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.715 . . . . 1.56 110.552 -175.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.99 72.08 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.525 . . . . 2.71 110.877 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -144.74 153.73 41.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.734 -0.666 . . . . 3.75 109.531 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.66 113.18 20.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.246 0.546 . . . . 2.95 111.395 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 96.7 m95 -82.88 72.59 9.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.44 -0.8 . . . . 2.18 109.68 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.2 m -55.45 -63.91 1.02 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.152 -0.931 . . . . 2.67 111.484 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.49 136.78 36.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.106 -0.702 . . . . 2.77 109.106 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.748 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 34.0 p90 -156.32 147.77 22.58 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.414 -0.812 . . . . 4.26 110.331 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.7 163.2 39.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.027 0.441 . . . . 0.66 110.827 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 88' ' ' LEU . 16.4 tp -90.13 133.2 35.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.988 -0.551 . . . . 1.22 109.997 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -117.36 112.81 21.22 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.604 -0.726 . . . . 0.56 110.378 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.552 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.5 t90 -83.15 109.0 16.8 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.842 -1.17 . . . . 0.35 107.842 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -75.71 -37.46 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.256 . . . . 2.31 110.43 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 15.7 mm-40 -56.21 -38.47 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 1.69 111.409 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.9 mmtt -102.37 -15.85 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 1.1 111.472 -176.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 57.99 76.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.047 -0.524 . . . . 3.52 110.393 -171.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 25.0 p -163.08 148.68 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.757 -0.656 . . . . 1.59 110.376 -175.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 83.3 m95 -96.37 139.27 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.245 -0.65 . . . . 0.57 109.245 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.1 mm? -95.89 103.57 15.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.551 -0.537 . . . . 0.61 109.551 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.56 -7.1 15.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.392 0.615 . . . . 0.73 109.994 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.696 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.86 72.55 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.906 0.86 . . . . 1.95 109.303 173.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 33.0 p -66.17 -22.25 66.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.64 111.968 -174.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -87.42 -5.88 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 2.94 110.961 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -84.25 144.76 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.723 -0.473 . . . . 0.76 109.723 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.749 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 72.9 p -89.76 166.26 13.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.431 -0.349 . . . . 0.38 110.902 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 42' ' ' VAL . 7.2 mp -60.74 -34.0 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.463 . . . . 0.62 110.496 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.3 -38.35 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.49 110.244 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -73.17 -36.88 66.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.665 . . . . 1.69 111.048 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HG12 ' A' ' 82' ' ' VAL . 67.4 m -79.8 -34.2 39.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.518 -0.31 . . . . 0.94 111.399 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.03 14.2 52.5 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 0.35 112.507 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.3 p -91.88 122.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.33 110.213 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.543 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 81.0 mt-30 -129.61 -162.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 2.37 111.317 -177.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -23.31 67.26 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 112.934 0.716 . . . . 0.88 112.934 -172.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.58 1.94 56.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.928 0.394 . . . . 2.14 111.709 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . -81.84 109.92 16.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.328 -0.396 . . . . 0.48 110.528 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.66 106.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.538 -0.912 . . . . 1.92 108.538 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 61' ' ' LEU . 13.9 tp -115.48 123.15 47.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.35 110.985 -169.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 19' ' ' ASP . 24.4 tp -112.33 140.04 47.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.779 . . . . 0.39 109.336 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -116.73 110.07 17.96 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.121 -0.696 . . . . 0.4 109.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -141.97 151.29 58.87 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.23 -0.441 . . . . 0.6 111.401 -171.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.748 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 9.4 Cg_endo -54.84 136.65 72.88 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.43 2.087 . . . . 1.04 110.476 169.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.406 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 10.0 pt20 -86.17 -53.16 5.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.562 -0.29 . . . . 1.46 111.509 -172.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 57.69 -173.33 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.998 0.428 . . . . 4.6 111.354 -175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 17.0 tppt? 59.33 40.16 21.46 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.502 0.668 . . . . 6.92 111.533 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.777 -0.63 . . . . 8.34 110.392 175.806 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.298 -0.721 . . . . 26.14 111.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' ILE . . . . . 0.529 HG23 HD11 ' A' ' 2' ' ' LEU . 4.5 tp -98.27 99.51 8.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.733 0.778 . . . . 24.82 110.867 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -148.79 104.93 3.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.307 -0.861 . . . . 23.21 109.685 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.22 -41.21 16.94 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.597 2.198 . . . . 22.08 112.223 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' PHE . . . . . 0.517 ' HD2' HG23 ' A' ' 0' ' ' THR . 64.9 t80 -153.96 -48.83 0.09 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.792 -0.64 . . . . 19.82 109.451 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' THR . . . . . 0.517 HG23 ' HD2' ' A' ' -1' ' ' PHE . 19.8 p -110.38 178.6 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.215 -0.902 . . . . 18.37 110.494 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt -81.33 164.59 22.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 17.23 110.767 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' -4' ' ' ILE . 94.2 mt -87.26 173.56 9.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.138 -0.483 . . . . 14.96 110.331 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -88.24 95.63 10.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.05 0.453 . . . . 14.83 110.843 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -134.27 152.04 51.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.644 -0.707 . . . . 12.3 109.762 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.59 70.16 0.85 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.952 -0.642 . . . . 10.54 112.684 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.61 -72.08 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.237 -0.282 . . . . 8.98 110.237 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.1 pt? -86.58 -28.98 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 9.0 109.623 177.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.731 HG23 ' HB2' ' A' ' 11' ' ' SER . 17.2 m -113.9 85.45 2.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.765 -0.652 . . . . 5.9 110.222 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -103.79 -37.49 7.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.782 -0.644 . . . . 4.74 109.574 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.63 62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.199 -0.91 . . . . 1.97 109.221 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.731 ' HB2' HG23 ' A' ' 8' ' ' THR . 65.3 m -138.89 150.39 45.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 1.22 110.494 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.548 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.9 p-90 -148.1 167.07 25.96 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.387 -0.824 . . . . 0.4 109.73 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.51 127.2 40.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.434 0.635 . . . . 2.4 110.849 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 54.6 tp -117.93 115.37 24.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.321 -0.854 . . . . 0.76 109.576 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.7 p -84.4 119.31 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.528 0.68 . . . . 0.96 109.755 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.92 115.89 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.515 -0.766 . . . . 0.31 109.38 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.624 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 80.6 mtp180 -83.58 110.03 17.9 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.82 -0.808 . . . . 3.03 108.82 177.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -87.99 117.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.025 0.441 . . . . 0.46 109.98 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.747 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 18.6 t70 -96.42 113.1 24.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.655 -0.702 . . . . 0.89 109.325 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.7 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 33.3 m-70 -98.18 91.59 5.33 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.805 -0.634 . . . . 0.99 110.164 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.19 3.21 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.023 -0.535 . . . . 1.79 111.195 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.47 19.09 8.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.233 -0.44 . . . . 4.01 111.089 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.99 39.93 4.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.631 -0.795 . . . . 2.95 112.502 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.7 ' HB2' ' CB ' ' A' ' 20' ' ' HIS . 31.5 mt-10 -134.74 -169.32 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.659 -0.497 . . . . 6.14 109.659 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -107.88 163.11 13.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.277 -0.268 . . . . 3.74 110.277 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -76.72 140.33 40.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.844 0.354 . . . . 1.75 110.601 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -118.33 125.62 50.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.08 -0.509 . . . . 0.66 110.657 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.624 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 51.5 mt-10 -98.76 104.98 17.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.868 0.366 . . . . 2.34 110.086 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -109.6 124.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.44 110.214 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 9.4 m -97.35 103.82 15.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.744 -0.465 . . . . 0.51 109.744 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 46' ' ' LEU . 93.9 mt -93.12 136.43 33.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.017 -0.538 . . . . 0.52 110.907 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -92.54 106.32 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.597 -1.26 . . . . 3.71 107.597 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -131.47 156.11 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.238 0.542 . . . . 0.43 112.275 -167.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 m -96.67 147.18 24.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.364 -0.834 . . . . 1.52 109.058 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.44 -21.48 64.6 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.621 -0.799 . . . . 0.49 112.201 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.2 4.32 23.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.063 0.458 . . . . 2.21 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 77' ' ' LEU . 58.4 tp -86.98 135.31 33.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.141 -0.349 . . . . 0.3 110.157 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.968 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -80.85 152.21 28.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.679 -0.237 . . . . 0.44 111.012 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.809 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.6 mm -55.25 -43.62 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.905 -0.589 . . . . 0.26 112.214 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.1 66.18 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.27 112.268 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.59 -31.61 44.67 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.08 -0.808 . . . . 0.37 111.08 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 77' ' ' LEU . 88.1 t -65.74 -44.9 93.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 0.31 109.357 172.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 71.8 mtp -56.02 -42.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.495 -0.775 . . . . 1.26 110.87 176.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.29 -39.78 84.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.499 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.31 -34.69 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 1.22 111.195 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 31' ' ' LEU . 1.8 mm? -63.05 -47.27 83.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.983 0.421 . . . . 0.96 110.143 175.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 43' ' ' MET . 51.9 t -61.8 -47.21 94.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.94 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.19 -27.06 63.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.477 -0.328 . . . . 2.36 111.778 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.56 -54.21 9.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 1.34 110.778 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 65.9 mtm -79.5 -31.5 42.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 1.03 110.853 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 t30 55.58 58.05 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.709 . . . . 1.95 110.366 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 54' ' ' GLN . 67.1 mt -120.04 134.61 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 1.56 110.083 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.2 95.02 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 2.71 111.271 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.5 ' HG2' HG22 ' A' ' 52' ' ' ILE . 16.7 mm-40 -133.87 177.46 7.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.01 -0.737 . . . . 3.75 109.01 176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.9 92.04 7.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 2.95 109.708 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -88.96 5.76 42.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.697 -0.683 . . . . 2.18 109.944 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 m -69.95 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 2.67 110.091 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -89.36 56.31 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.12 0.962 . . . . 2.77 109.276 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -125.22 146.25 49.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.197 . . . . 4.26 108.153 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.68 168.19 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.592 -0.443 . . . . 0.66 111.798 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.648 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.1 mm? -86.99 132.51 33.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.749 . . . . 1.22 110.302 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -101.91 115.0 29.58 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.67 -0.695 . . . . 0.56 109.326 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 3.7 t90 -88.94 109.92 20.66 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.6 -0.889 . . . . 0.35 108.6 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -67.84 -50.72 55.11 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.877 0.325 . . . . 2.31 111.877 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.48 -38.83 78.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.215 0.45 . . . . 1.69 112.215 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 63' ' ' TRP . 5.3 mptp? -91.01 -20.65 21.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.709 0.263 . . . . 1.1 111.709 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 56.9 71.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.674 0.609 . . . . 3.52 109.936 -171.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -156.49 147.05 21.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.493 -0.776 . . . . 1.59 109.96 -175.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -98.68 130.67 45.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.617 -0.512 . . . . 0.57 109.617 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.9 mm? -82.14 102.39 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.067 0.461 . . . . 0.61 110.119 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD21 ' OE1' ' A' ' 93' ' ' GLN . 76.9 mt -111.98 -11.53 13.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.692 -0.855 . . . . 0.73 108.692 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -78.86 57.25 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.572 -1.194 . . . . 1.95 108.822 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.809 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 9.8 p -70.72 -20.27 62.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 0.64 111.798 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 2.94 109.874 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 11.8 m0 -80.99 152.69 27.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 0.76 109.596 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.968 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.2 p -92.83 168.11 11.4 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.714 -0.221 . . . . 0.38 111.147 -177.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 42' ' ' VAL . 3.9 mp -54.77 -50.99 67.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.008 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.83 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.968 -0.56 . . . . 1.49 110.722 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 22.0 tptm -67.84 -39.67 83.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.69 110.819 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.06 -29.99 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.861 0.362 . . . . 0.94 110.845 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.54 17.69 27.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.279 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' ALA . 1.8 p -104.05 125.09 58.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.539 . . . . 0.33 110.329 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.4 mt-30 -128.57 -165.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 2.37 110.232 -176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.38 67.86 1.05 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.547 0.689 . . . . 0.88 110.248 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -158.7 -36.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 2.14 109.977 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -76.31 150.52 36.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.48 112.005 -174.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -97.96 104.36 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.316 -0.994 . . . . 1.92 108.316 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.648 ' HG ' HD12 ' A' ' 61' ' ' LEU . 6.5 tp -105.11 115.69 30.69 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.719 -0.673 . . . . 0.35 110.654 -171.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 19' ' ' ASP . 20.4 tp -101.89 129.48 48.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.57 -0.741 . . . . 0.39 109.623 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 43' ' ' MET . 4.3 t80 -102.96 106.09 16.56 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.74 -0.837 . . . . 0.4 108.74 178.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.75 151.59 53.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.6 110.677 -172.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 37.1 Cg_endo -66.94 129.38 20.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.397 2.065 . . . . 1.04 111.922 176.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.416 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 pt20 -97.77 8.68 44.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 1.46 111.3 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -62.16 132.28 52.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.823 0.344 . . . . 4.6 110.758 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -96.7 100.65 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.135 -0.484 . . . . 6.92 110.326 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.474 -0.774 . . . . 8.34 110.071 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.128 -0.789 . . . . 26.14 111.128 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 5.6 tp -91.95 76.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 122.402 1.096 . . . . 24.82 109.174 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -151.7 150.35 26.15 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.534 -1.212 . . . . 23.21 109.394 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.27 122.99 11.12 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.503 2.135 . . . . 22.08 111.33 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -59.01 113.36 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 19.82 110.745 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 30.1 m -83.85 -25.51 30.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.688 -0.687 . . . . 18.37 111.14 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm 61.79 80.69 0.21 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.055 -0.52 . . . . 17.23 110.38 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.776 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.3 pt? -84.12 143.07 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.108 -0.497 . . . . 14.96 110.072 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m 72.46 146.89 0.08 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.954 0.784 . . . . 14.83 111.118 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -79.04 89.27 4.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 12.3 110.252 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.55 69.22 0.3 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.757 -0.735 . . . . 10.54 112.426 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -110.52 141.49 43.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 8.98 110.133 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -132.65 9.6 4.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.594 -0.275 . . . . 9.0 111.622 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -127.45 -25.15 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.225 -0.59 . . . . 5.9 112.52 -174.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -105.73 -45.67 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.66 0.267 . . . . 4.74 110.87 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.8 17.95 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.826 0.822 . . . . 1.97 110.492 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -153.52 122.45 6.45 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.827 -1.079 . . . . 1.22 109.585 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.604 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.1 p-90 -148.84 159.37 44.23 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.23 -0.895 . . . . 0.4 110.325 -170.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 8.1 pt-20 -96.23 127.24 42.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 2.4 110.944 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -112.86 134.63 54.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.269 -0.878 . . . . 0.76 110.078 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 5.9 p -97.95 120.6 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.195 0.521 . . . . 0.96 110.318 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.6 t -114.66 128.84 71.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.024 -0.534 . . . . 0.31 110.204 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 1.012 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 91.0 mtt180 -90.77 119.03 30.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 3.03 109.882 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG11 ' HE1' ' A' ' 50' ' ' MET . 39.7 t -102.93 124.68 57.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.704 0.288 . . . . 0.46 111.129 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -97.65 132.05 43.65 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.545 -0.909 . . . . 0.89 108.545 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.662 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 82.8 m-70 -106.71 128.56 54.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.864 0.364 . . . . 0.99 111.742 -171.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -68.6 96.0 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.085 -0.961 . . . . 1.79 110.972 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 11.7 t30 169.7 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.977 -1.011 . . . . 4.01 109.175 -178.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.15 29.53 1.34 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.204 -0.907 . . . . 2.95 111.667 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 24.1 mm-40 -91.36 -176.45 4.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.58 0.229 . . . . 6.14 110.501 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.34 -174.65 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.075 0.464 . . . . 3.74 111.391 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -84.82 101.6 12.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.485 -0.78 . . . . 1.75 110.914 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -78.45 111.33 14.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.23 -0.655 . . . . 0.66 109.23 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 1.012 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.7 mt-10 -99.33 102.1 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.453 0.644 . . . . 2.34 110.473 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 49' ' ' GLN . 39.3 mm -96.29 140.31 17.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.026 -0.988 . . . . 0.44 111.241 -174.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -103.38 108.41 19.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 0.51 109.787 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' GLU . 94.3 mt -108.46 138.36 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.811 0.339 . . . . 0.52 111.192 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 5.5 tpp180 -92.72 110.52 21.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.973 -0.751 . . . . 3.71 108.973 175.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.63 164.29 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.709 -0.678 . . . . 0.43 111.327 -171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 p -115.42 159.29 21.32 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.208 -0.664 . . . . 1.52 109.208 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.27 -25.92 68.86 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.751 -0.738 . . . . 0.49 112.928 -177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.09 7.31 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.68 0.276 . . . . 2.21 111.598 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.8 tp -83.99 123.49 30.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.649 -0.5 . . . . 0.3 109.649 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.89 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 34.3 p-80 -78.32 151.73 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.441 -0.345 . . . . 0.44 110.798 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 70' ' ' LEU . 26.5 mm -50.3 -40.73 18.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.528 -0.76 . . . . 0.26 113.027 -173.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.44 -36.07 75.25 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.058 -0.592 . . . . 0.27 113.056 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.84 -29.91 60.36 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.734 -0.746 . . . . 0.37 111.865 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 77' ' ' LEU . 40.3 t -66.58 -47.12 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.609 0.243 . . . . 0.31 110.492 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.14 -36.82 78.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.26 110.552 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.08 -38.66 86.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.913 -0.585 . . . . 1.02 110.427 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.22 111.489 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.9 mm? -58.94 -52.56 65.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.96 110.084 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.29 -42.66 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.65 110.538 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.54 -49.48 77.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.606 -0.725 . . . . 2.36 111.236 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 tp-100 -67.98 -43.73 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 1.34 111.375 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB3' HG13 ' A' ' 52' ' ' ILE . 72.4 mtm -71.73 -50.76 27.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.994 -0.282 . . . . 1.03 111.553 -176.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 49.83 68.73 0.7 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.344 0.592 . . . . 1.95 109.805 -173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.588 HG13 ' HB3' ' A' ' 50' ' ' MET . 48.9 mt -110.99 143.09 21.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.896 -0.593 . . . . 1.56 110.59 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.35 84.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 2.71 112.154 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -169.16 148.94 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 3.75 109.198 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -87.15 121.24 29.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.43 . . . . 2.95 110.972 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -87.41 69.3 9.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.724 -0.671 . . . . 2.18 109.931 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -65.02 -32.55 74.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 2.67 110.795 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -146.51 129.99 16.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.77 109.514 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 52.4 p90 -153.21 149.01 27.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.384 -0.371 . . . . 4.26 110.356 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 155.17 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.66 110.626 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 88' ' ' LEU . 13.8 tp -92.13 135.93 33.59 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.836 -0.431 . . . . 1.22 109.836 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.502 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 38.6 t-105 -122.88 121.11 35.41 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.02 -0.536 . . . . 0.56 110.387 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.5 t90 -89.38 109.03 19.98 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.379 -0.971 . . . . 0.35 108.379 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.71 -35.33 78.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 2.31 111.072 -172.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.86 -5.71 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.911 -0.586 . . . . 1.69 111.495 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -125.7 -8.18 6.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.559 -0.291 . . . . 1.1 111.154 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 14.1 mtp180 49.36 54.87 10.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.432 0.634 . . . . 3.52 110.606 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -137.27 148.18 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 1.59 110.872 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -95.83 121.98 38.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.217 -1.031 . . . . 0.57 108.217 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 39' ' ' ILE . 60.9 mt -82.06 102.25 10.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.926 -0.768 . . . . 0.61 108.926 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.62 -1.12 9.06 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.376 -0.829 . . . . 0.73 109.686 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -79.5 74.12 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.452 -0.794 . . . . 1.95 108.869 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 p -68.58 -12.74 61.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.363 -0.835 . . . . 0.64 111.881 -174.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -84.39 -7.77 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 2.94 109.982 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -95.87 145.85 25.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 0.76 109.902 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.89 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.1 p -96.67 174.5 6.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.328 -0.396 . . . . 0.38 110.807 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 42' ' ' VAL . 4.7 mp -55.56 -51.29 67.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.62 110.565 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.83 -37.32 86.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 1.49 110.755 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -67.5 -40.1 85.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.743 -0.662 . . . . 1.69 111.023 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -76.41 -37.69 56.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.425 -0.352 . . . . 0.94 110.96 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.41 -2.25 29.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.658 -0.782 . . . . 0.35 112.485 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -77.95 114.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.192 0.52 . . . . 0.33 110.108 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -113.43 -169.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.7 -0.682 . . . . 2.37 110.975 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.91 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.107 0.78 . . . . 0.88 113.107 -170.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -97.36 5.48 49.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.358 . . . . 2.14 111.189 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 129.83 34.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.559 -0.291 . . . . 0.48 110.681 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -78.54 122.09 25.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.744 -0.465 . . . . 1.92 109.744 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 61' ' ' LEU . 21.1 tp -124.15 144.25 50.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.759 -171.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 17' ' ' ARG . 24.9 tp -122.27 146.0 47.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.39 109.952 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' HB3' HG22 ' A' ' 18' ' ' VAL . 18.7 t80 -123.83 110.9 15.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.251 -0.648 . . . . 0.4 109.251 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 t -142.33 148.33 47.16 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.543 . . . . 0.6 111.196 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HG3' ' HB2' ' A' ' 21' ' ' ALA . 13.5 Cg_endo -58.6 144.34 97.53 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.147 1.898 . . . . 1.04 110.743 170.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -100.88 -16.5 17.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.022 0.439 . . . . 1.46 110.454 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -139.33 109.54 6.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 4.6 110.383 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.86 100.25 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.134 0.492 . . . . 6.92 110.148 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.454 -0.784 . . . . 8.34 110.123 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.364 -0.294 . . . . 26.14 112.364 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.69 -44.49 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.81 0.338 . . . . 24.82 110.389 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -127.48 116.15 21.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 23.21 110.571 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.89 96.76 1.07 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.862 2.375 . . . . 22.08 111.049 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -70.11 96.09 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.459 . . . . 19.82 111.118 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 23.9 m -100.93 103.49 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.663 -0.699 . . . . 18.37 110.094 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -90.39 177.98 6.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.021 -0.536 . . . . 17.23 109.99 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.6 mm? 56.82 -152.21 0.39 Allowed 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.248 0.343 . . . . 14.96 110.445 -175.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 17.1 m -117.84 145.82 44.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 14.83 110.716 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -89.4 -47.34 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.042 -0.725 . . . . 12.3 109.042 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.13 -107.65 2.26 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.547 -0.751 . . . . 10.54 113.537 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.08 123.54 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.73 0.3 . . . . 8.98 111.651 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' HG ' HG22 ' A' ' 8' ' ' THR . 65.6 tp 68.43 -78.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.209 -0.905 . . . . 9.0 111.444 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.69 HG22 ' HG ' ' A' ' 7' ' ' LEU . 15.1 t -176.72 157.86 1.61 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 5.9 109.703 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -151.41 79.87 1.29 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.056 0.455 . . . . 4.74 110.488 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 94.58 1.03 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 1.97 109.823 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 32' ' ' ARG . 5.1 p -133.44 120.77 21.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.509 -0.769 . . . . 1.22 110.242 -176.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.646 ' CH2' HD23 ' A' ' 77' ' ' LEU . 2.2 p-90 -128.01 155.67 43.93 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.153 -0.931 . . . . 0.4 110.688 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -84.73 108.61 17.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.148 0.499 . . . . 2.4 110.978 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 54.7 tp -101.99 111.12 23.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.505 -0.771 . . . . 0.76 109.471 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 4.6 p -87.49 119.8 35.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.375 0.607 . . . . 0.96 110.102 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.7 t -112.76 124.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.141 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.96 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.6 mtt180 -84.09 111.65 19.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 3.03 110.092 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -87.04 124.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.481 -0.327 . . . . 0.46 110.565 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.825 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.9 t70 -96.92 119.6 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.762 -0.829 . . . . 0.89 108.762 175.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 25' ' ' GLN . 88.8 m-70 -95.58 123.98 39.39 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.201 -0.454 . . . . 0.99 111.48 -173.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 92.86 0.23 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.655 -0.702 . . . . 1.79 109.486 174.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -172.84 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.423 -0.808 . . . . 4.01 109.522 -173.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.99 73.74 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.576 -0.821 . . . . 2.95 112.972 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 51.74 90.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.012 0.745 . . . . 6.14 113.012 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 16.1 mm-40 -140.18 120.05 13.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.566 -0.743 . . . . 3.74 109.538 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -109.28 103.26 12.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.342 0.401 . . . . 1.75 111.111 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 m -101.63 119.36 38.66 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.498 -0.556 . . . . 0.66 109.498 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.96 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 47.8 mt-10 -97.67 101.65 13.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.235 0.541 . . . . 2.34 110.145 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.8 122.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.496 -0.774 . . . . 0.44 110.212 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 11.9 m -97.02 103.68 15.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.1 0.476 . . . . 0.51 110.191 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.86 139.75 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.52 110.064 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HG2' ' HB2' ' A' ' 11' ' ' SER . 29.8 ttp180 -92.54 109.59 21.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.657 -0.868 . . . . 3.71 108.657 175.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 m -124.89 164.6 23.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.837 -0.62 . . . . 0.43 111.394 -170.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -111.04 159.43 17.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.52 110.362 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.22 72.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.842 -0.694 . . . . 0.49 112.741 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -91.02 14.72 13.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 2.21 111.769 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 77' ' ' LEU . 50.2 tp -89.88 124.29 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.499 -0.556 . . . . 0.3 109.499 174.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.896 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.8 p-80 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.691 -0.232 . . . . 0.44 111.015 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.7 mm -51.24 -41.94 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.678 -0.692 . . . . 0.26 112.715 -173.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.42 78.51 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.818 -0.706 . . . . 0.27 112.617 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.69 -6.25 88.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.984 -0.626 . . . . 0.37 111.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 77' ' ' LEU . 60.3 t -90.24 -50.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.565 ' HA ' HD23 ' A' ' 46' ' ' LEU . 45.9 mtm -59.84 -34.84 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.963 -0.562 . . . . 1.26 110.659 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 1.02 109.984 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.37 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.371 . . . . 1.22 111.261 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 43' ' ' MET . 3.4 mm? -60.25 -52.33 65.73 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.922 0.391 . . . . 0.96 110.082 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.41 -39.86 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.65 110.635 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.45 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 2.36 110.999 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -67.8 -49.72 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.34 111.365 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 67.1 mtm -75.42 -48.34 23.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.325 . . . . 1.03 111.52 -175.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 54.71 81.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.733 0.645 . . . . 1.95 110.722 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 HD12 ' HE1' ' A' ' 20' ' ' HIS . 68.5 mt -130.05 130.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.781 -0.645 . . . . 1.56 109.833 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.37 94.98 1.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.092 -0.504 . . . . 2.71 110.971 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -138.81 -175.03 4.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 3.75 109.441 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.77 109.29 20.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.559 -0.534 . . . . 2.95 109.559 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -111.66 43.19 1.57 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.026 -0.534 . . . . 2.18 109.684 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -67.95 -51.01 52.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.101 0.476 . . . . 2.67 110.728 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -132.76 101.98 5.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.029 0.918 . . . . 2.77 110.375 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 42.4 p90 -129.46 157.79 41.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.968 -1.015 . . . . 4.26 109.858 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB3' ' HE3' ' A' ' 69' ' ' TRP . . . -156.51 165.25 36.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 0.66 110.86 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 88' ' ' LEU . 10.5 tp -89.24 136.0 33.26 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.705 -0.679 . . . . 1.22 109.266 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 55.9 t-105 -113.08 112.4 23.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.024 0.44 . . . . 0.56 110.385 -177.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -82.58 109.5 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.228 -1.027 . . . . 0.35 108.228 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.94 -37.02 81.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.035 0.445 . . . . 2.31 111.393 -172.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.75 -32.51 73.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.051 -0.522 . . . . 1.69 111.317 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.13 -15.65 19.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 1.1 111.142 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.71 65.14 1.6 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.108 -0.701 . . . . 3.52 109.108 -172.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t -148.04 147.46 29.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 1.59 110.731 -170.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.469 ' HE3' ' HB3' ' A' ' 60' ' ' ALA . 90.4 m95 -97.58 122.77 41.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.1 mm? -74.76 104.05 5.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.61 109.927 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.94 -9.45 15.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.472 -0.785 . . . . 0.73 108.94 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD2' ' CE3' ' A' ' 75' ' ' TRP . 50.9 mtmt -78.85 62.49 3.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.902 -1.045 . . . . 1.95 109.309 172.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 40.6 p -69.51 -24.52 63.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.64 111.305 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -79.94 -13.74 59.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.416 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 13.4 m0 -86.8 149.94 24.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.559 -0.534 . . . . 0.76 109.559 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.896 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.6 p -88.94 170.76 10.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.453 -0.339 . . . . 0.38 111.147 -176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 42' ' ' VAL . 3.6 mp -56.48 -46.51 80.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.62 110.801 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.13 -32.34 68.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.737 -0.665 . . . . 1.49 110.646 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.497 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 57.4 tptt -69.54 -35.16 75.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 1.69 110.646 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.66 -23.79 36.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.94 110.503 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.74 18.37 51.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.069 -0.586 . . . . 0.35 112.459 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.85 109.1 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 0.33 110.774 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -99.87 -170.09 1.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.282 -0.872 . . . . 2.37 110.213 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.45 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -74.09 -4.37 35.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.88 111.163 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.79 -14.63 44.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 2.14 110.576 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.52 135.65 34.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.843 -0.617 . . . . 0.48 111.896 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.51 109.48 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.91 -0.774 . . . . 1.92 108.91 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 61' ' ' LEU . 14.8 tp -118.17 129.91 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.176 0.513 . . . . 0.35 110.996 -173.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 17' ' ' ARG . 9.0 tp -114.9 152.99 31.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.324 -0.853 . . . . 0.39 108.898 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -129.83 111.47 12.63 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.642 -0.503 . . . . 0.4 109.642 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.825 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 4.6 t -140.86 143.28 31.2 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.394 -0.366 . . . . 0.6 110.456 -174.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.683 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 26.1 Cg_exo -62.84 132.58 37.86 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.262 1.974 . . . . 1.04 111.356 175.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -83.83 20.74 1.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.223 0.535 . . . . 1.46 109.937 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -59.99 121.07 10.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.13 -0.941 . . . . 4.6 110.185 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.84 ' H ' ' HD2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -107.54 135.86 48.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.735 -0.666 . . . . 6.92 109.974 -176.368 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.324 -0.846 . . . . 8.34 109.406 179.296 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.306 -0.318 . . . . 26.14 112.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 39.2 pt -112.02 150.78 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 24.82 110.407 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -106.03 112.97 64.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.18 -0.464 . . . . 23.21 110.702 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.3 118.61 4.0 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.069 2.512 . . . . 22.08 111.694 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -98.51 133.92 42.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.972 -0.381 . . . . 19.82 109.972 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 8.9 p -80.38 137.04 36.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.009 0.433 . . . . 18.37 111.459 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -168.7 1.6 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.91 -0.586 . . . . 17.23 109.511 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.35 103.89 4.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 14.96 109.533 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -55.96 -36.7 68.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 14.83 112.367 -174.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -131.54 19.8 4.73 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.862 -0.335 . . . . 12.3 111.155 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.35 98.89 Favored Glycine 0 C--N 1.331 0.295 0 N-CA-C 109.62 -1.392 . . . . 10.54 109.62 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.35 -82.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.922 -1.139 . . . . 8.98 113.83 -166.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.4 tp -158.01 145.49 18.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.727 -0.389 . . . . 9.0 111.138 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -80.84 141.63 34.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.618 -0.719 . . . . 5.9 109.683 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -94.95 93.87 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.052 -0.259 . . . . 4.74 111.079 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . 61.41 100.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.865 0.728 . . . . 1.97 112.588 174.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 15.4 m -110.77 97.19 6.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.206 0.527 . . . . 1.22 110.439 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.511 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -108.85 175.94 5.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.706 -0.679 . . . . 0.4 111.591 -174.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -90.22 115.22 27.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 2.4 110.223 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.06 108.68 17.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.76 110.305 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.16 118.97 34.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.077 0.465 . . . . 0.96 109.857 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.2 t -114.95 127.32 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.863 -0.608 . . . . 0.31 109.692 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.778 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 93.5 mtt180 -88.46 110.61 20.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.801 0.334 . . . . 3.03 110.507 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 46.6 t -93.09 113.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.46 110.398 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.781 ' HB2' ' HG3' ' A' ' 26' ' ' GLN . 27.7 t70 -101.12 128.71 47.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.924 0.393 . . . . 0.89 110.078 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.5 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 64.3 m-70 -97.9 112.5 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.517 -0.92 . . . . 0.99 108.517 176.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 96.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.6 0.562 . . . . 1.79 111.416 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 179.79 -41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.602 -0.726 . . . . 4.01 109.502 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.7 52.12 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.603 -0.726 . . . . 2.95 112.168 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG3' ' HB2' ' A' ' 20' ' ' HIS . 6.6 mm-40 -105.28 166.12 10.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.042 0.449 . . . . 6.14 111.036 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.52 28.51 8.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.567 0.699 . . . . 3.74 110.045 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.781 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 1.2 mp0 62.56 115.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.746 -1.57 . . . . 1.75 112.358 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -78.65 132.74 37.17 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.251 -0.648 . . . . 0.66 109.251 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 37.7 mt-10 -97.88 104.85 16.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.328 0.585 . . . . 2.34 110.523 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -101.53 121.03 51.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.347 -0.842 . . . . 0.44 110.437 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -93.84 104.03 16.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 0.51 109.979 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.2 mt -95.38 144.67 25.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.716 -0.674 . . . . 0.52 111.156 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -92.35 108.33 19.88 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.746 -1.205 . . . . 3.71 107.746 170.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 11' ' ' SER . 25.0 m -129.51 160.39 40.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.048 -0.523 . . . . 0.43 110.724 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 13.4 m -125.37 162.02 25.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.223 -0.444 . . . . 1.52 110.675 -176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -65.83 -29.36 74.9 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.922 -0.656 . . . . 0.49 112.032 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.31 0.9 47.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.955 0.407 . . . . 2.21 110.91 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.5 tp -84.86 130.66 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.3 109.941 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.74 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.7 p-80 -84.17 148.7 26.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.44 110.825 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' A' ' 70' ' ' LEU . 15.7 mm -53.78 -37.12 31.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.096 0.559 . . . . 0.26 112.283 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.95 -26.79 61.26 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.196 -0.526 . . . . 0.27 112.56 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -82.76 -31.47 29.55 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.37 111.74 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 77' ' ' LEU . 68.0 t -67.65 -51.3 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.337 0.113 . . . . 0.31 111.029 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.621 ' HA ' HD23 ' A' ' 46' ' ' LEU . 43.6 mtm -62.37 -30.87 71.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.958 0.409 . . . . 1.26 110.731 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 tp -70.73 -30.86 67.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 1.02 110.489 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 68.3 mttm -66.7 -29.16 69.09 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.3 -0.409 . . . . 1.22 111.296 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 43' ' ' MET . 2.7 mm? -60.66 -53.21 60.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.96 110.0 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.68 -34.86 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.4 0.619 . . . . 0.65 110.05 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 37.2 tt0 -66.4 -32.37 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.011 -0.995 . . . . 2.36 111.519 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 12.2 mm100 -72.05 -54.47 9.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.114 0.413 . . . . 1.34 112.114 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -77.16 -14.51 59.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.644 -0.422 . . . . 1.03 110.906 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 56.08 67.77 0.96 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.344 0.592 . . . . 1.95 110.455 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.2 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 1.56 109.595 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.33 37.82 2.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.23 0.538 . . . . 2.71 110.538 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -145.35 133.55 21.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.727 -0.669 . . . . 3.75 111.601 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.88 63.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.504 0.927 . . . . 2.95 113.504 171.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.67 -89.82 0.5 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 2.18 109.194 168.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t 61.04 -77.55 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.806 0.692 . . . . 2.67 111.7 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.24 101.89 14.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.195 -0.457 . . . . 2.77 109.783 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -151.72 146.16 25.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.759 -0.655 . . . . 4.26 110.042 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.48 162.72 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.66 110.464 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 14.7 tp -99.27 139.08 35.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.029 -0.532 . . . . 1.22 110.251 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -121.14 118.01 28.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.56 110.678 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 65' ' ' GLN . 7.7 t90 -95.67 110.2 22.35 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.985 -0.746 . . . . 0.35 108.985 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.24 -22.69 61.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.87 0.693 . . . . 2.31 112.87 -170.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 97.7 mt-30 -87.13 11.53 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.274 0.559 . . . . 1.69 111.214 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -142.39 -32.7 0.49 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.449 -0.796 . . . . 1.1 109.188 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 61.96 83.78 0.15 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.509 -1.223 . . . . 3.52 110.532 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 p -169.65 150.62 4.09 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 113.543 -1.662 . . . . 1.59 108.76 -171.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.81 122.12 37.1 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.923 -0.769 . . . . 0.57 108.923 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -69.82 102.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.197 0.522 . . . . 0.61 109.77 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -113.7 3.05 15.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.506 -0.77 . . . . 0.73 109.035 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 2.5 mptp? -82.17 61.22 5.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.678 -1.146 . . . . 1.95 108.645 174.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.489 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 6.1 p -66.28 -28.04 68.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.578 -0.737 . . . . 0.64 112.26 -172.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -86.01 -13.16 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 2.94 110.596 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 11.1 m0 -78.86 146.58 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.924 -0.398 . . . . 0.76 109.924 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.74 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.0 p -88.02 163.37 16.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.38 110.843 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -57.36 -41.53 80.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.62 110.999 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.92 -31.08 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.491 -0.777 . . . . 1.49 110.632 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.86 -36.3 56.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 1.69 110.492 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.74 -43.83 65.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.94 110.586 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.35 8.95 37.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.35 112.808 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.42 128.92 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.042 -0.355 . . . . 0.33 110.042 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -112.1 178.25 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.522 . . . . 2.37 111.35 -175.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -67.19 -31.58 72.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.88 111.379 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.22 0.09 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 2.14 111.173 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.7 122.02 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.401 -0.363 . . . . 0.48 110.862 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.87 116.23 4.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.379 -0.373 . . . . 1.92 110.104 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 12.1 tp -120.36 119.08 32.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.35 110.364 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.35 138.13 45.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.39 109.911 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 11.8 t80 -114.5 108.69 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.827 -0.805 . . . . 0.4 108.827 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 t -142.51 150.85 55.9 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.873 -0.603 . . . . 0.6 110.292 -173.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.52 147.0 81.24 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.422 2.081 . . . . 1.04 112.113 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -101.25 -0.61 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.942 -0.572 . . . . 1.46 109.858 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -56.18 144.73 28.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 4.6 110.747 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.61 100.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.839 -0.619 . . . . 6.92 110.651 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.613 -0.708 . . . . 8.34 109.634 -179.168 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.217 -0.753 . . . . 26.14 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 5.1 tp -99.24 91.99 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.901 0.858 . . . . 24.82 108.879 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 14.3 m-20 -108.29 138.65 20.23 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.485 -0.78 . . . . 23.21 110.488 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 2.7 Cg_endo -79.08 103.22 1.61 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.977 2.452 . . . . 22.08 112.287 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -111.99 -14.38 13.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.059 -0.519 . . . . 19.82 109.713 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 26.7 m -66.44 -51.65 54.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 18.37 110.923 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt -107.54 129.25 54.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.283 -0.417 . . . . 17.23 110.247 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 tp -118.63 96.85 5.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.232 0.539 . . . . 14.96 110.176 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -125.72 106.89 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.769 -0.65 . . . . 14.83 109.957 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -125.84 11.92 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.892 -0.595 . . . . 12.3 110.353 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.56 82.54 1.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.78 -0.724 . . . . 10.54 111.897 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.64 106.29 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.862 -0.421 . . . . 8.98 109.862 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.02 117.67 6.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.331 0.586 . . . . 9.0 111.693 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -132.54 118.6 19.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.565 -0.743 . . . . 5.9 109.848 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -138.8 150.68 46.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.538 -0.301 . . . . 4.74 110.497 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.4 23.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.849 -0.614 . . . . 1.97 110.804 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -102.49 145.22 29.88 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.498 -0.774 . . . . 1.22 111.338 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.605 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.3 p-90 -127.98 162.01 27.8 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.187 -0.915 . . . . 0.4 110.094 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.2 109.77 21.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.587 0.708 . . . . 2.4 111.081 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -100.64 113.72 26.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.217 -1.031 . . . . 0.76 108.217 175.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 3.7 p -81.85 115.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.644 -0.873 . . . . 0.96 108.644 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG22 HD12 ' A' ' 14' ' ' LEU . 41.4 t -107.07 116.87 51.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.68 -0.691 . . . . 0.31 109.282 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 80.3 mtp180 -85.24 111.66 20.04 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.473 -0.566 . . . . 3.03 109.473 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 48.5 t -85.85 115.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.795 -0.639 . . . . 0.46 110.263 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 15.9 t70 -95.93 104.75 16.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.135 -0.691 . . . . 0.89 109.135 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -74.12 93.38 2.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.453 -0.943 . . . . 0.99 108.453 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -51.18 131.65 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.23 -0.896 . . . . 1.79 112.202 -172.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 94.0 m-20 76.65 -8.87 1.59 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.319 -0.855 . . . . 4.01 111.298 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.01 -22.8 12.42 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.597 -1.001 . . . . 2.95 110.597 172.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 73.86 -8.94 1.31 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 6.14 112.75 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -84.3 125.6 32.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.757 0.313 . . . . 3.74 110.434 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.601 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 69.9 mt-30 -108.4 126.3 52.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.071 -0.513 . . . . 1.75 109.968 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -104.1 139.17 39.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.973 -0.558 . . . . 0.66 109.983 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 4.8 mp0 -96.66 103.09 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.34 110.176 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 49' ' ' GLN . 49.3 mm -106.18 104.92 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.598 -0.728 . . . . 0.44 109.978 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.3 m -87.56 103.69 15.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.014 0.435 . . . . 0.51 110.122 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.0 mt -97.56 137.53 36.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.962 -0.563 . . . . 0.52 111.072 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 42.9 ttm180 -92.58 108.27 19.85 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.271 -1.011 . . . . 3.71 108.271 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.94 147.38 31.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.779 -0.646 . . . . 0.43 111.85 -169.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.9 m -90.16 159.83 16.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.506 -0.77 . . . . 1.52 110.538 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.06 -25.92 70.04 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.591 -0.814 . . . . 0.49 111.527 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.5 -1.1 49.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.211 0.529 . . . . 2.21 110.666 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' O ' HD13 ' A' ' 77' ' ' LEU . 49.4 tp -79.65 132.18 36.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.691 -0.485 . . . . 0.3 109.691 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.783 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -78.49 147.41 33.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.339 -0.392 . . . . 0.44 110.698 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' A' ' 70' ' ' LEU . 13.5 mm -51.92 -43.77 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 123.063 0.545 . . . . 0.26 112.042 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.479 ' HA2' ' SD ' ' A' ' 43' ' ' MET . . . -57.98 -28.14 60.52 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 121.066 -0.587 . . . . 0.27 112.768 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -42.33 58.61 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.143 -0.783 . . . . 0.37 111.143 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 77' ' ' LEU . 57.8 t -62.83 -43.5 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.978 -0.378 . . . . 0.31 109.978 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.479 ' SD ' ' HA2' ' A' ' 40' ' ' GLY . 76.2 mtp -52.94 -43.44 66.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.57 -0.741 . . . . 1.26 111.012 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.05 -36.16 66.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.729 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 66.0 mttm -68.65 -21.39 64.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.588 0.588 . . . . 1.22 112.588 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -61.62 -47.66 84.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.386 -0.526 . . . . 0.96 109.86 171.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.12 -33.89 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.013 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.731 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 31.0 tt0 -59.27 -50.11 75.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.92 -0.582 . . . . 2.36 110.757 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 29' ' ' ILE . 61.5 tp60 -72.45 -52.86 14.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.714 -0.676 . . . . 1.34 111.663 -176.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.523 ' HE1' HG11 ' A' ' 18' ' ' VAL . 7.0 ttp -67.53 -27.82 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.612 -0.514 . . . . 1.03 109.612 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 57.77 75.49 0.37 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.018 -0.992 . . . . 1.95 111.311 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.489 ' HB ' ' HZ2' ' A' ' 56' ' ' TRP . 46.3 mt -136.88 100.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.676 -0.693 . . . . 1.56 110.177 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.62 100.75 9.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.838 0.352 . . . . 2.71 110.45 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -155.93 -174.36 4.92 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.572 -0.529 . . . . 3.75 109.572 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.46 99.21 8.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.812 -0.44 . . . . 2.95 109.812 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' HZ2' ' HB ' ' A' ' 52' ' ' ILE . 94.8 m95 -89.21 -29.39 19.31 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.529 -0.545 . . . . 2.18 109.529 176.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 m 66.5 -71.56 0.09 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.152 -0.931 . . . . 2.67 111.361 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD2' ' HG2' ' A' ' 93' ' ' GLN . 4.7 p-10 -141.29 137.83 32.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.091 -0.707 . . . . 2.77 109.091 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 35.5 p90 -148.98 143.21 25.98 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.716 -0.674 . . . . 4.26 110.181 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.51 171.49 18.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.498 -0.319 . . . . 0.66 110.603 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.821 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.2 mm? -92.8 134.08 35.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.096 0.474 . . . . 1.22 110.99 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -105.53 112.27 25.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.474 -0.785 . . . . 0.56 109.608 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.42 ' HB2' HD21 ' A' ' 70' ' ' LEU . 5.3 t90 -91.82 109.04 20.36 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.671 -0.863 . . . . 0.35 108.671 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.68 -32.91 73.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 2.31 111.062 -173.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -72.98 -9.65 58.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.975 -0.557 . . . . 1.69 111.623 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.81 -12.29 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.648 -0.251 . . . . 1.1 111.363 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 56.83 38.39 29.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.07 0.462 . . . . 3.52 110.476 -174.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 t -132.3 148.76 52.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.93 -0.577 . . . . 1.59 110.423 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.452 ' HH2' HG23 ' A' ' 91' ' ' THR . 91.4 m95 -96.01 130.19 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.57 109.665 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.9 mm? -75.55 102.74 5.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.154 0.502 . . . . 0.61 110.076 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.34 9.31 13.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 0.73 109.119 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 3.1 mptp? -80.55 69.96 7.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.86 -1.064 . . . . 1.95 109.045 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -68.34 -26.56 65.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.716 -0.675 . . . . 0.64 111.801 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -85.14 -28.65 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.94 110.095 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.723 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 12.1 m95 -71.36 143.54 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.174 0.512 . . . . 0.76 110.855 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 22.2 p -87.85 162.21 17.09 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.822 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.605 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.7 mp -56.41 -48.24 77.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.465 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.03 -31.57 71.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.507 . . . . 1.49 111.056 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 50.3 tttp -74.71 -38.81 62.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 1.69 110.466 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.2 t -64.11 -43.45 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.94 110.511 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.0 -9.5 18.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.638 -0.791 . . . . 0.35 112.578 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.11 112.7 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.446 0.641 . . . . 0.33 110.852 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -105.07 -173.61 2.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.568 -0.742 . . . . 2.37 110.41 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -68.87 -14.51 63.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.88 111.679 -175.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.33 11.12 24.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 2.14 111.588 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.67 149.5 28.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.513 0.197 . . . . 0.48 111.062 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -84.77 117.69 23.99 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.823 -0.436 . . . . 1.92 109.823 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.2 tp -123.84 117.53 25.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 0.35 110.544 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 17' ' ' ARG . 23.8 tp -104.6 134.92 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.723 -0.671 . . . . 0.39 109.602 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 63.7 t80 -109.6 108.03 18.31 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.355 -0.538 . . . . 0.4 110.019 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.617 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.4 t -144.13 151.66 52.58 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.501 -0.555 . . . . 0.6 109.501 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.27 141.95 47.93 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.426 2.084 . . . . 1.04 111.889 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.408 ' HG2' ' OD2' ' A' ' 58' ' ' ASP . 9.7 pt20 -89.17 -13.0 39.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 1.46 110.104 -176.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.1 m80 68.78 26.52 6.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.19 -0.913 . . . . 4.6 112.338 172.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 95' ' ' LYS . 20.4 tptm -165.27 106.37 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.988 0.423 . . . . 6.92 110.806 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.252 -0.88 . . . . 8.34 109.756 177.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.747 -0.541 . . . . 26.14 111.747 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 39.2 pt -90.8 -29.73 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.845 0.355 . . . . 24.82 110.754 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 9.0 p-10 -84.24 120.19 74.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.074 -0.512 . . . . 23.21 111.145 -176.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 5.3 Cg_exo -80.87 -70.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.99 2.46 . . . . 22.08 111.664 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.09 78.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.582 . . . . 19.82 109.74 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 12.7 t -173.61 161.46 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.787 0.327 . . . . 18.37 110.664 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.542 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.4 tpt -147.25 10.32 0.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.437 0.637 . . . . 17.23 109.905 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.542 HD13 ' H ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -135.41 165.99 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.967 -0.56 . . . . 14.96 111.107 -177.328 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -111.87 123.25 49.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.967 -0.561 . . . . 14.83 110.053 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 m 62.05 28.5 17.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.193 -0.458 . . . . 12.3 111.199 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.2 -32.43 55.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.891 -0.671 . . . . 10.54 112.081 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -84.63 156.15 21.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.983 -0.377 . . . . 8.98 109.983 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -128.38 -8.1 5.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.201 -0.454 . . . . 9.0 110.026 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -66.42 -24.85 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 5.9 111.074 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 34' ' ' SER . 50.4 m -92.59 -29.89 15.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.273 . . . . 4.74 110.874 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.26 49.34 11.27 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.836 -0.62 . . . . 1.97 109.878 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.666 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 14.6 m -91.08 146.18 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.22 111.138 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.478 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -150.11 160.84 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.375 -0.829 . . . . 0.4 109.965 177.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -85.65 107.53 17.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.055 0.455 . . . . 2.4 110.809 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 84' ' ' ALA . 60.4 tp -103.34 122.61 45.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.76 110.233 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.4 p -93.44 119.41 41.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.356 0.598 . . . . 0.96 110.106 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 46' ' ' LEU . 42.5 t -114.72 125.38 72.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.955 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 89' ' ' LEU . 98.4 mtt180 -84.23 122.16 28.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.167 -0.469 . . . . 3.03 109.962 177.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG11 ' HE1' ' A' ' 50' ' ' MET . 46.3 t -92.58 123.86 44.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 116.341 -0.391 . . . . 0.46 110.377 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.861 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.3 t70 -95.96 113.92 25.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.522 -0.548 . . . . 0.89 109.522 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -87.06 141.83 28.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.561 -0.745 . . . . 0.99 110.279 -174.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.12 115.71 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.881 -0.599 . . . . 1.79 111.24 -174.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 66.47 15.27 10.06 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.431 -0.804 . . . . 4.01 110.751 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.88 126.4 6.97 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.899 -0.667 . . . . 2.95 112.119 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.83 -13.49 59.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 6.14 110.881 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -77.15 101.8 6.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.634 -0.712 . . . . 3.74 109.92 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -98.45 112.44 24.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.913 -0.585 . . . . 1.75 109.702 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -78.12 136.49 37.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.66 110.672 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -98.84 105.95 18.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.774 0.797 . . . . 2.34 110.272 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 49' ' ' GLN . 45.3 mm -100.6 116.53 44.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.484 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 21.9 m -96.02 104.11 16.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.286 0.565 . . . . 0.51 109.803 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HG ' HG22 ' A' ' 29' ' ' ILE . 95.7 mt -104.17 141.91 35.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.487 -0.779 . . . . 0.52 110.516 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -91.48 108.63 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.338 -0.986 . . . . 3.71 108.338 173.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.0 148.52 30.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.43 111.248 -172.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.666 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 14.3 m -89.71 148.38 23.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.876 -0.602 . . . . 1.52 110.035 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.36 -31.55 77.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.656 -0.783 . . . . 0.49 111.788 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.21 2.4 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.507 . . . . 2.21 111.077 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.6 tp -78.79 131.63 36.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.684 -0.487 . . . . 0.3 109.684 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.8 p-80 -78.15 147.31 34.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.44 110.748 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 70' ' ' LEU . 17.5 mm -51.68 -42.44 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.26 112.436 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.44 -24.87 56.99 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.176 -0.535 . . . . 0.27 112.966 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 -37.02 20.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.928 -0.653 . . . . 0.37 111.601 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 77' ' ' LEU . 41.1 t -64.8 -43.41 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.81 -0.441 . . . . 0.31 109.81 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 67.2 mtp -54.08 -38.93 65.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.445 -0.798 . . . . 1.26 111.166 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 60.2 tp -72.55 -39.62 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.043 -0.526 . . . . 1.02 110.743 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 63.9 mttm -62.99 -27.67 69.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.15 -0.477 . . . . 1.22 111.908 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -62.12 -46.9 86.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.96 110.998 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.18 -49.72 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.511 . . . . 0.65 111.299 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 45' ' ' LYS . 7.8 pt-20 -67.12 -26.05 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 2.36 112.212 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 29' ' ' ILE . 26.7 tp60 -69.98 -32.61 70.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 1.34 110.912 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HE1' HG11 ' A' ' 18' ' ' VAL . 61.6 mtm -96.41 -49.75 5.04 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.969 -0.292 . . . . 1.03 110.992 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 54.78 70.49 0.62 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.715 0.634 . . . . 1.95 111.209 -175.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.75 142.01 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.523 -0.762 . . . . 1.56 109.176 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.15 81.62 3.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.054 0.454 . . . . 2.71 110.997 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -148.19 171.7 15.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.755 -0.657 . . . . 3.75 109.316 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.41 109.13 20.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.178 0.513 . . . . 2.95 110.695 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -80.15 -59.89 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.113 -0.699 . . . . 2.18 109.113 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 t 64.6 -84.03 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.802 -1.09 . . . . 2.67 111.081 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -95.09 75.83 3.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.558 -0.534 . . . . 2.77 109.558 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 48.6 p90 -94.32 143.69 26.17 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.151 -0.477 . . . . 4.26 110.233 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.99 169.2 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.66 110.64 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -108.24 138.41 44.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.414 -0.357 . . . . 1.22 110.099 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -123.05 126.14 46.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.879 -0.6 . . . . 0.56 110.282 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.47 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.3 t90 -95.66 110.05 22.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.662 -0.866 . . . . 0.35 108.662 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.14 -35.97 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 2.31 111.17 -173.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.41 -26.68 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 1.69 111.951 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.0 mmtt -115.09 -6.67 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.055 0.391 . . . . 1.1 112.055 -174.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 60.6 42.41 14.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.227 0.329 . . . . 3.52 111.068 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.3 p -130.5 148.89 52.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.935 0.398 . . . . 1.59 111.742 -174.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -95.87 123.87 39.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.051 -1.092 . . . . 0.57 108.051 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.7 mm? -73.02 103.35 3.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.762 -0.458 . . . . 0.61 109.762 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -108.56 5.86 25.46 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.836 -0.801 . . . . 0.73 108.836 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 37.4 mttm -83.21 57.76 4.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 1.95 108.821 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -62.62 -30.17 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 0.64 112.318 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -85.74 -21.44 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 2.94 110.413 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.2 m0 -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.038 -0.528 . . . . 0.76 110.342 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.6 p -96.26 168.9 10.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.876 -0.602 . . . . 0.38 111.031 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.676 HD11 HG21 ' A' ' 42' ' ' VAL . 5.2 mp -60.24 -43.77 95.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.62 111.579 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.0 -43.07 83.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 1.49 110.644 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 59.1 tptt -60.54 -38.15 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.228 -0.896 . . . . 1.69 111.376 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -73.51 -37.94 65.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.94 110.635 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.7 24.37 13.72 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.592 -0.813 . . . . 0.35 112.633 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -101.28 118.81 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.086 0.469 . . . . 0.33 110.394 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.03 -175.68 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 2.37 111.435 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -79.88 -13.99 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.88 112.183 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.77 -1.74 52.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.807 0.337 . . . . 2.14 110.76 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.76 131.16 36.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.986 -0.552 . . . . 0.48 110.586 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -71.82 97.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 1.92 109.818 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 61' ' ' LEU . 14.4 tp -100.98 135.99 41.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.352 -0.84 . . . . 0.35 109.638 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 17' ' ' ARG . 29.3 tp -118.28 132.61 56.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.5 -0.318 . . . . 0.39 110.332 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.2 t80 -111.77 111.36 22.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.779 -0.452 . . . . 0.4 109.779 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.861 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.2 t -141.51 143.07 28.35 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.004 -0.544 . . . . 0.6 110.004 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.578 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 22.4 Cg_exo -64.68 134.12 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.949 1.766 . . . . 1.04 110.955 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -78.15 64.67 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.58 0.705 . . . . 1.46 111.266 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -120.58 98.3 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.293 -0.867 . . . . 4.6 109.39 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -137.83 143.23 40.88 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.244 -0.434 . . . . 6.92 110.485 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.406 -0.806 . . . . 8.34 109.481 174.361 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.964 -0.454 . . . . 26.14 111.964 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 56.8 mt -95.69 -48.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 24.82 110.561 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.698 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 10.9 m-20 -81.75 -54.7 0.65 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 23.21 111.812 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.698 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 23.4 Cg_exo -65.46 128.22 19.79 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.125 1.883 . . . . 22.08 111.965 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -86.8 -6.93 58.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.142 0.496 . . . . 19.82 110.618 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 4.1 m -90.42 134.72 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.078 -0.51 . . . . 18.37 109.835 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt -70.74 129.24 38.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.775 0.321 . . . . 17.23 110.293 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' A' ' 2' ' ' LEU . 3.2 pp -88.41 6.59 36.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.253 -0.43 . . . . 14.96 111.33 -178.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -79.09 -22.52 45.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 14.83 111.21 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 m 71.98 -54.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.313 0.645 . . . . 12.3 111.476 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.64 152.89 20.83 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.541 -0.624 . . . . 10.54 111.541 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.52 -168.65 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.993 -0.373 . . . . 8.98 109.993 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 tp -80.48 61.87 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.431 0.634 . . . . 9.0 110.328 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 9' ' ' SER . 95.2 m -161.29 147.22 14.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.801 . . . . 5.9 109.227 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' HG22 ' A' ' 8' ' ' THR . 5.7 p -75.43 168.44 20.0 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.956 0.407 . . . . 4.74 110.703 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.79 -177.23 2.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.737 -0.665 . . . . 1.97 110.487 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 8.7 m -88.49 106.61 18.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.326 0.584 . . . . 1.22 109.552 173.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 14' ' ' LEU . 13.9 p-90 -109.72 148.33 31.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.197 -0.91 . . . . 0.4 110.246 -176.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.4 pt-20 -92.58 124.44 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.508 0.67 . . . . 2.4 110.886 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 53.3 tp -111.43 130.2 55.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.969 -1.014 . . . . 0.76 110.217 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.8 118.32 34.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.685 -0.487 . . . . 0.96 109.685 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.39 121.48 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.719 -0.673 . . . . 0.31 109.817 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' HD12 ' A' ' 89' ' ' LEU . 64.9 mtt180 -88.15 118.03 27.45 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 3.03 109.891 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 t -89.16 124.71 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.263 -0.426 . . . . 0.46 110.317 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.5 113.93 25.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 0.89 109.67 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -106.56 102.08 11.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.707 -0.679 . . . . 0.99 110.84 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -66.56 144.73 56.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.529 -0.76 . . . . 1.79 109.859 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.4 m-80 70.93 15.93 6.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.496 0.665 . . . . 4.01 109.595 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.74 172.06 25.78 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.598 -1.001 . . . . 2.95 110.598 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.29 151.2 37.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.191 0.495 . . . . 6.14 111.477 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 71.55 112.03 0.06 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.326 1.017 . . . . 3.74 111.98 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -70.65 114.74 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.997 -0.742 . . . . 1.75 108.997 171.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 m -77.54 130.94 37.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.382 -0.372 . . . . 0.66 110.468 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -96.3 101.47 13.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.455 -0.572 . . . . 2.34 109.455 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.478 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.0 mm -98.67 121.63 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 0.44 110.54 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -95.22 112.02 23.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.165 -0.471 . . . . 0.51 109.891 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HG ' HG22 ' A' ' 29' ' ' ILE . 96.4 mt -116.46 129.42 56.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.284 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.7 ttm180 -92.78 110.1 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.313 -0.625 . . . . 3.71 109.313 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 11' ' ' SER . 34.6 m -117.57 151.11 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.457 -0.792 . . . . 0.43 111.147 -172.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -94.98 161.09 14.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 1.52 109.823 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.01 -19.12 67.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.872 -0.68 . . . . 0.49 112.691 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.6 5.74 48.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.553 0.216 . . . . 2.21 111.499 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HD22 ' A' ' 77' ' ' LEU . 47.3 tp -89.83 130.0 36.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.725 -0.472 . . . . 0.3 109.725 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 9.8 p80 -82.35 153.83 25.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.486 -0.324 . . . . 0.44 111.036 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.785 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 18.6 mm -49.83 -47.95 22.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 123.664 0.786 . . . . 0.26 112.189 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.86 -29.86 68.44 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.018 -0.611 . . . . 0.27 112.592 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.23 -37.37 48.63 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.12 -0.792 . . . . 0.37 111.12 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 77' ' ' LEU . 39.0 t -63.33 -46.07 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.31 109.348 174.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.2 mtp -58.14 -37.32 74.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.465 -0.788 . . . . 1.26 110.747 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.35 -29.67 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 1.02 110.568 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.4 mttm -73.47 -22.08 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.22 111.796 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.3 mm? -63.09 -43.06 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 170.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.31 -37.17 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.65 109.932 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 32.4 tt0 -59.75 -34.35 72.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.054 -0.976 . . . . 2.36 111.351 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.2 tp60 -72.14 -54.54 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 1.34 111.932 -174.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.465 ' HB3' HG13 ' A' ' 52' ' ' ILE . 4.5 mpp? -92.65 -32.37 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 1.03 111.929 -175.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 62.21 27.03 16.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 111.96 0.355 . . . . 1.95 111.96 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.465 HG13 ' HB3' ' A' ' 50' ' ' MET . 51.1 mt -67.11 130.13 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.255 -0.276 . . . . 1.56 110.255 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 95.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.023 0.44 . . . . 2.71 110.217 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' HG2' HG22 ' A' ' 52' ' ' ILE . 13.1 mm100 -139.73 179.19 6.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 3.75 110.246 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.72 93.51 9.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.085 -0.709 . . . . 2.95 109.085 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.73 13.27 16.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 2.18 110.835 -175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.2 -31.52 64.23 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.088 -0.708 . . . . 2.67 109.088 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -96.44 97.56 9.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 2.77 109.876 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -165.59 157.95 15.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 4.26 110.5 -177.224 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.0 165.22 6.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.66 110.615 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 HG23 ' A' ' 39' ' ' ILE . 87.6 mt -98.89 130.67 45.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.876 0.369 . . . . 1.22 110.522 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 56.0 t-105 -106.41 113.59 27.19 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.775 -0.648 . . . . 0.56 109.756 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -86.22 109.32 18.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.657 -0.868 . . . . 0.35 108.657 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.39 -41.87 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.605 -0.271 . . . . 2.31 111.466 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 97.1 mt-30 -55.33 -39.85 70.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 1.69 111.528 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -98.5 -19.34 17.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.457 -0.338 . . . . 1.1 111.211 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 57.41 79.82 0.18 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.329 -0.619 . . . . 3.52 109.329 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 t -164.41 148.36 9.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.487 -0.779 . . . . 1.59 110.158 -172.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.435 ' CZ3' HG23 ' A' ' 91' ' ' THR . 84.4 m95 -96.58 124.89 40.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -69.01 104.61 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.122 0.487 . . . . 0.61 110.102 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.45 -12.58 15.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.89 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -79.91 60.85 3.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 1.95 109.418 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.785 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 20.2 p -67.54 -24.2 65.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.215 -0.902 . . . . 0.64 111.81 -174.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -85.09 -9.48 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 2.94 110.231 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 79' ' ' LYS . 11.9 m0 -88.42 156.27 19.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.76 110.124 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.78 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.7 p -89.74 169.98 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.576 -0.284 . . . . 0.38 110.891 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.43 -45.43 84.65 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.047 0.451 . . . . 0.62 110.07 176.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.8 -42.7 99.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.494 -0.776 . . . . 1.49 111.109 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 32.4 tttp -73.15 -22.51 60.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 1.69 110.775 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.9 t -83.54 -45.85 13.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.314 -0.403 . . . . 0.94 110.425 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.13 -3.34 23.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.706 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -80.63 127.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.33 110.952 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -116.26 -175.95 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 2.37 110.875 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.08 -11.79 61.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.361 0.504 . . . . 0.88 112.361 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -83.56 -18.2 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 2.14 111.023 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -74.2 133.74 42.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.999 0.428 . . . . 0.48 111.666 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -83.69 109.89 17.85 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.121 -0.696 . . . . 1.92 109.121 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 61' ' ' LEU . 14.0 tp -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.35 110.676 -173.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 62' ' ' TRP . 22.2 tp -109.42 142.89 39.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.714 -0.675 . . . . 0.39 109.497 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.633 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 14.0 t80 -114.96 110.74 20.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.4 109.571 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.435 HG23 ' CZ3' ' A' ' 69' ' ' TRP . 1.8 t -141.26 150.95 60.14 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.096 -0.502 . . . . 0.6 110.814 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.67 155.44 70.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.427 2.085 . . . . 1.04 110.84 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -113.33 -23.86 9.66 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.986 -0.286 . . . . 1.46 111.266 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 m80 61.63 41.91 11.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.159 0.504 . . . . 4.6 111.215 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 35.6 ttpt -115.32 105.19 12.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.705 -0.68 . . . . 6.92 109.658 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.478 -0.772 . . . . 8.34 110.149 178.812 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.627 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 11.3 p-90 . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 110.008 -0.367 . . . . 0.4 110.008 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 11.7 pt-20 -84.45 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.208 0.527 . . . . 2.4 110.014 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 51.8 tp -112.92 125.76 54.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.747 -0.66 . . . . 0.76 109.841 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.66 119.74 35.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.413 0.625 . . . . 0.96 110.014 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 58.9 t -111.42 115.1 48.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.472 -0.785 . . . . 0.31 109.771 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' O ' HD12 ' A' ' 89' ' ' LEU . 20.4 ttp180 -86.8 111.72 21.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 3.03 109.577 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 50' ' ' MET . 48.7 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.081 0.467 . . . . 0.46 110.936 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.623 ' HB2' HD11 ' A' ' 89' ' ' LEU . 24.7 t70 -97.05 103.89 15.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.678 -0.692 . . . . 0.89 109.205 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.99 109.543 -177.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.972 -0.381 . . . . 1.75 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 7.5 m -116.97 123.83 47.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.66 110.409 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.15 102.42 14.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.274 0.559 . . . . 2.34 110.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG21 ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -103.56 135.2 42.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.44 110.535 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -113.97 117.08 30.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 0.51 110.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.2 134.92 54.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.95 -0.568 . . . . 0.52 109.782 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 48.2 ttp180 -93.61 110.72 22.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.444 0.64 . . . . 3.71 109.564 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 77' ' ' LEU . 16.6 m -110.87 154.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.348 -0.842 . . . . 0.43 110.708 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -100.69 14.24 32.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.546 0.689 . . . . 1.52 111.57 -176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 -41.73 2.2 Favored Glycine 0 C--N 1.308 -0.995 0 CA-C-N 115.04 -0.982 . . . . 0.49 112.904 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.08 3.79 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 2.21 111.027 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 43.1 tp -78.32 128.02 33.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.3 109.586 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.907 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 18.9 p-80 -78.51 150.59 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.153 -0.219 . . . . 0.44 110.783 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.736 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.3 mm -53.08 -42.28 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 123.143 0.577 . . . . 0.26 112.52 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.56 64.84 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.083 -0.579 . . . . 0.27 112.839 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -70.85 -39.79 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.764 -0.731 . . . . 0.37 111.471 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 HD11 ' A' ' 77' ' ' LEU . 25.9 t -63.33 -43.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.31 110.03 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.8 mtp -55.06 -42.36 72.62 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.623 -0.717 . . . . 1.26 111.404 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.1 tp -67.0 -42.15 85.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 1.02 110.785 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 68.1 mttm -63.9 -35.87 82.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 1.22 111.795 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -58.07 -50.22 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.96 110.426 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -57.39 -39.11 66.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.992 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.84 -34.79 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 2.36 111.193 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 29' ' ' ILE . 14.3 mm100 -65.7 -52.55 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 1.34 111.886 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 18' ' ' VAL . 3.7 mpp? . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 120.61 -0.436 . . . . 1.03 110.833 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 40.8 p90 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.563 0.221 . . . . 4.26 111.232 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.63 178.62 5.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.119 -0.491 . . . . 0.66 110.51 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.3 mm? -96.87 139.92 32.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.158 0.504 . . . . 1.22 111.224 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -113.22 114.68 27.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.293 -0.867 . . . . 0.56 109.235 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.49 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 4.0 t90 -83.06 110.05 17.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.35 108.814 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.61 -43.15 81.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.835 0.35 . . . . 2.31 111.829 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.12 -2.13 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.518 0.562 . . . . 1.69 112.518 -172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.81 -11.83 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.741 0.305 . . . . 1.1 110.551 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 51.71 74.16 0.27 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.485 -0.78 . . . . 3.52 110.829 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 21.3 p -158.76 149.24 19.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.702 -0.681 . . . . 1.59 110.682 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -96.12 125.95 41.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.57 109.409 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -71.92 104.78 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.61 109.79 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.31 1.63 10.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.405 -0.816 . . . . 0.73 110.056 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -92.77 65.74 4.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.836 -0.802 . . . . 1.95 108.836 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 52.6 p -66.78 -25.09 66.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.784 -1.098 . . . . 0.64 110.658 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -79.08 -4.46 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.892 -1.049 . . . . 2.94 110.389 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -104.63 152.05 22.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.76 110.253 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.907 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 48.2 p -84.85 169.4 14.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.172 -0.467 . . . . 0.38 110.86 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 42' ' ' VAL . 5.9 mp -57.43 -47.17 82.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.62 110.621 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.89 -33.16 74.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.443 -0.799 . . . . 1.49 110.999 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -71.42 -40.77 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 1.69 110.652 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.91 -36.98 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.94 110.602 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.54 9.02 34.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.635 -0.793 . . . . 0.35 112.474 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.66 117.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.21 0.528 . . . . 0.33 110.63 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.627 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 51.8 mt-30 -131.15 -171.8 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.722 -0.672 . . . . 2.37 110.462 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.53 -13.13 60.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.457 0.54 . . . . 0.88 112.457 -172.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.96 -13.65 60.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.14 110.951 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 63' ' ' TRP . . . -111.93 149.9 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.474 . . . . 0.48 110.876 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -90.02 139.24 30.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.446 -0.576 . . . . 1.92 109.446 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 61' ' ' LEU . 15.7 tp -125.43 126.42 44.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.099 0.475 . . . . 0.35 110.518 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 19' ' ' ASP . 13.7 tp -103.44 131.38 50.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.39 109.415 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 74.5 t80 -103.6 109.93 21.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.286 -0.635 . . . . 0.4 109.286 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.3 t -141.88 138.75 17.34 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 116.27 -0.423 . . . . 0.6 110.294 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.617 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 17.0 Cg_exo -67.09 133.52 31.15 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.164 1.91 . . . . 1.04 111.284 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.293 0.568 . . . . 1.46 109.85 174.721 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 7.3 p-90 . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 110.221 -0.289 . . . . 0.4 110.221 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.67 117.49 22.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.644 0.735 . . . . 2.4 111.334 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 68.0 tp -114.44 134.3 55.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.885 -1.052 . . . . 0.76 109.69 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.09 119.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.392 0.615 . . . . 0.96 109.962 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -109.29 109.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.684 -0.689 . . . . 0.31 109.503 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 1.01 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 57.6 mtt180 -84.93 110.39 18.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 3.03 109.713 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 50' ' ' MET . 56.3 t -85.34 115.19 26.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.133 -0.485 . . . . 0.46 110.614 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.866 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.8 t70 -96.24 133.06 41.04 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.524 -0.762 . . . . 0.89 108.985 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 . . . . . 0 C--N 1.317 -0.828 0 CA-C-N 116.19 -0.459 . . . . 0.99 110.718 -173.17 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.1 mt-30 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.141 -0.688 . . . . 1.75 109.141 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -77.32 108.12 10.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.66 110.47 -172.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 1.01 ' HB3' ' HG2' ' A' ' 17' ' ' ARG . 7.8 pt-20 -99.22 106.99 19.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 2.34 110.724 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 49' ' ' GLN . 47.0 mm -100.93 132.58 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.964 -1.017 . . . . 0.44 110.019 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -98.46 102.14 13.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.69 139.36 41.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.52 109.767 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -93.54 109.38 20.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.64 0.733 . . . . 3.71 109.619 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.55 150.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.684 -1.144 . . . . 0.43 110.654 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.6 p -91.38 157.4 17.12 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.126 -0.488 . . . . 1.52 110.033 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -64.63 -19.36 64.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 0.49 112.348 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.36 13.53 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 2.21 111.331 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 50.9 tp -94.19 124.88 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.926 -0.398 . . . . 0.3 109.926 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 40.4 p-80 -80.61 151.3 29.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.44 111.118 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.721 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.1 mm -50.32 -46.28 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.54 0.736 . . . . 0.26 112.708 -175.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.61 75.48 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.805 -0.712 . . . . 0.27 112.303 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.82 -34.11 56.71 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.257 -0.737 . . . . 0.37 111.257 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -64.61 -44.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.355 -0.609 . . . . 0.31 109.355 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.404 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 73.0 mtp -54.15 -44.47 71.44 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.34 -0.845 . . . . 1.26 111.182 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.77 -41.81 87.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.62 -0.718 . . . . 1.02 110.444 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.41 -31.11 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.22 111.537 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' LEU . 2.0 mm? -62.27 -52.79 62.3 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.858 0.361 . . . . 0.96 110.16 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.8 t -55.36 -46.2 78.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.163 0.506 . . . . 0.65 110.397 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.3 -30.65 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.993 -1.003 . . . . 2.36 111.401 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG2' HG21 ' A' ' 29' ' ' ILE . 7.4 tp60 -73.92 -55.11 6.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.305 -0.407 . . . . 1.34 111.787 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.514 ' HE1' HG21 ' A' ' 18' ' ' VAL . 3.3 mpp? . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.44 0.533 . . . . 1.03 112.44 -172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.119 -0.326 . . . . 4.26 110.119 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.01 167.57 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.322 -0.399 . . . . 0.66 110.034 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.5 mm? -80.99 129.16 34.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.06 0.457 . . . . 1.22 110.336 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -103.66 115.11 29.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.085 -0.709 . . . . 0.56 109.085 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -81.43 109.17 15.66 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.549 -1.278 . . . . 0.35 107.549 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.52 -52.16 29.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.39 -0.823 . . . . 2.31 111.203 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.51 -32.13 72.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 1.69 111.975 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -90.54 -15.94 29.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.169 -0.212 . . . . 1.1 111.248 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 67' ' ' ARG . 13.5 mmt180 59.01 62.1 1.96 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.211 0.529 . . . . 3.52 110.626 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.45 148.04 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 1.59 110.903 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.547 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 93.2 m95 -96.32 128.81 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.975 -0.379 . . . . 0.57 109.975 177.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.6 mm? -83.6 103.16 12.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.429 -0.582 . . . . 0.61 109.429 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.3 mt -110.27 -5.75 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.096 -0.705 . . . . 0.73 109.096 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.95 66.44 4.4 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.973 -1.012 . . . . 1.95 109.046 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.721 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 19.6 p -67.03 -15.34 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.64 111.243 -175.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.94 -6.05 49.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.595 -0.729 . . . . 2.94 110.42 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.59 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 9.1 m0 -90.9 145.53 24.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.644 . . . . 0.76 110.058 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.3 p -88.49 166.19 14.36 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.932 -0.576 . . . . 0.38 110.669 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.54 -45.11 77.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.874 0.369 . . . . 0.62 110.512 177.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -43.28 93.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.55 -0.75 . . . . 1.49 110.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.6 tptt -72.43 -32.86 66.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 1.69 111.268 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 82' ' ' VAL . 69.5 m -75.92 -30.84 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.335 . . . . 0.94 110.907 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.31 7.48 58.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.35 112.425 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.8 p -86.26 119.88 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.547 . . . . 0.33 110.58 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.36 -170.28 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.327 -0.851 . . . . 2.37 110.86 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.37 -27.91 34.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 0.88 111.419 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.98 1.22 54.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 2.14 110.786 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.61 123.17 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.0 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -69.03 115.2 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.86 0.362 . . . . 1.92 110.324 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.632 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.5 tp -117.87 127.36 53.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.065 -0.516 . . . . 0.35 110.337 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.78 144.72 34.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.39 109.367 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 18' ' ' VAL . 8.8 t80 -120.05 106.36 11.92 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.4 109.128 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.866 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 13.0 t -143.89 152.28 55.02 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.862 -0.421 . . . . 0.6 109.862 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 59' ' ' TYR . 10.1 Cg_endo -54.56 137.27 72.87 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.477 2.118 . . . . 1.04 111.244 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 23.5 pt20 . . . . . 0 C--N 1.324 -0.529 0 C-N-CA 120.801 -0.36 . . . . 1.46 111.595 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.651 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.4 p-90 . . . . . 0 N--CA 1.443 -0.779 0 CA-C-O 120.818 0.342 . . . . 0.4 110.235 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.1 112.91 18.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.617 0.723 . . . . 2.4 110.701 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.5 tp -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.24 -0.891 . . . . 0.76 110.018 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 6.2 p -90.09 120.19 38.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.407 0.622 . . . . 0.96 109.737 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.4 t -119.4 131.28 72.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.743 -0.662 . . . . 0.31 109.413 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 79.5 mtp180 -96.22 116.8 29.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.017 0.436 . . . . 3.03 109.909 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 47.4 t -87.34 115.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.837 -0.62 . . . . 0.46 110.637 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.2 t70 -96.8 106.94 19.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.276 -0.638 . . . . 0.89 109.276 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 0.99 111.034 -174.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 45.3 mt-30 . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.843 0.354 . . . . 1.75 110.429 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 9.1 m -107.59 137.53 45.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.862 -0.608 . . . . 0.66 110.392 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.4 mp0 -98.41 112.14 24.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.873 0.368 . . . . 2.34 110.293 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.9 mm -111.31 140.15 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.44 110.089 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.8 m -121.11 108.48 13.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.51 110.714 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -109.16 133.84 52.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.953 -0.567 . . . . 0.52 110.401 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -91.07 108.2 19.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 3.71 109.076 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 162.59 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.366 -0.833 . . . . 0.43 111.075 -172.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -122.92 170.0 10.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.093 -0.706 . . . . 1.52 109.093 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.48 -14.61 62.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.079 -0.581 . . . . 0.49 113.429 -173.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.94 -15.37 59.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 2.21 111.145 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 40.2 tp -79.8 140.88 36.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.965 -0.383 . . . . 0.3 109.965 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.9 p-80 -90.33 152.02 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.417 -0.356 . . . . 0.44 110.776 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.639 HG23 HD12 ' A' ' 61' ' ' LEU . 22.6 mm -51.96 -45.04 39.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.717 0.636 . . . . 0.26 112.717 -175.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.67 -33.25 66.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.917 -0.659 . . . . 0.27 112.857 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.59 72.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.939 -0.648 . . . . 0.37 111.572 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 HD11 ' A' ' 77' ' ' LEU . 41.9 t -64.54 -44.78 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.91 -0.404 . . . . 0.31 109.91 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.51 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.0 mtp -55.43 -37.84 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.578 -0.737 . . . . 1.26 111.371 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -40.13 71.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 1.02 110.708 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.02 -30.4 71.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.22 111.558 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -57.8 -53.16 61.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.646 0.26 . . . . 0.96 110.32 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -59.24 -40.89 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.774 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.03 -42.29 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 2.36 110.978 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 15.0 mm100 -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.34 112.224 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--N 1.328 -0.328 0 C-N-CA 120.587 -0.445 . . . . 1.03 110.768 177.126 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 1.5 p90 . . . . . 0 C--O 1.233 0.218 0 N-CA-C 110.313 -0.255 . . . . 4.26 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.59 169.38 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.365 0.416 . . . . 0.66 110.757 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 39' ' ' ILE . 75.7 mt -93.34 127.53 38.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.314 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -104.66 114.98 29.55 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.883 -0.598 . . . . 0.56 109.619 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -86.81 110.34 19.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.967 -0.753 . . . . 0.35 108.967 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.41 -34.23 76.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.762 0.315 . . . . 2.31 111.804 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -71.1 -32.64 69.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 1.69 111.703 -175.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -106.52 -20.41 13.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.642 -0.253 . . . . 1.1 111.048 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 57.89 82.87 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.607 0.718 . . . . 3.52 110.718 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -167.39 148.6 5.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.832 -1.077 . . . . 1.59 109.813 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 97.3 m95 -96.76 122.62 39.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.57 109.847 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -76.12 103.66 6.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.61 109.577 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.04 -5.56 10.51 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.277 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 75' ' ' TRP . 46.3 mmtm -78.82 70.42 5.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 1.95 108.948 171.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.4 p -68.99 -19.08 64.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.64 111.651 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.72 -12.05 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.661 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 12.8 m0 -80.48 142.25 34.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.76 110.558 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 45.7 p -82.88 164.82 20.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.054 -0.521 . . . . 0.38 110.523 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 ' CH2' ' A' ' 12' ' ' TRP . 5.5 mp -59.1 -41.16 87.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.62 110.624 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.8 -32.99 71.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.49 110.458 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.06 -43.67 78.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 1.69 110.426 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.7 m -72.18 -42.56 65.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.94 110.975 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.76 18.45 15.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.381 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.2 115.66 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.125 0.488 . . . . 0.33 110.383 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.5 mt-30 -121.07 -164.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.668 . . . . 2.37 110.843 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.9 -21.06 66.42 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.569 0.581 . . . . 0.88 112.569 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -95.5 10.95 34.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.871 0.367 . . . . 2.14 111.349 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.33 127.29 42.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.478 -0.328 . . . . 0.48 110.931 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -72.33 108.9 5.7 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.457 -0.571 . . . . 1.92 109.457 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 61' ' ' LEU . 20.3 tp -122.72 126.42 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.861 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 19' ' ' ASP . 22.0 tp -112.4 125.53 54.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.778 -0.646 . . . . 0.39 109.518 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 55.0 t80 -103.38 108.88 20.3 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.4 109.861 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.81 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.7 t -144.09 151.26 51.68 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.915 -0.584 . . . . 0.6 110.232 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 72.7 Cg_exo -51.16 124.71 14.57 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.123 1.882 . . . . 1.04 110.448 169.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.628 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 2.9 pt20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 1.46 111.69 -173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.1 p-90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.4 111.499 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -86.45 104.71 16.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.281 0.562 . . . . 2.4 111.027 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 tp -99.62 109.43 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.398 -0.819 . . . . 0.76 109.64 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.18 120.28 35.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.327 0.584 . . . . 0.96 110.117 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.423 HG22 HD23 ' A' ' 88' ' ' LEU . 41.0 t -111.59 121.88 64.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.756 -0.656 . . . . 0.31 109.939 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.894 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 87.0 mtt180 -81.98 112.17 18.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 3.03 109.945 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 38.7 t -89.89 116.86 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.224 -0.444 . . . . 0.46 110.492 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 17.8 t70 -111.78 137.44 49.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.744 -0.662 . . . . 0.89 109.744 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 C--N 1.321 -0.656 0 N-CA-C 109.119 -0.697 . . . . 0.99 109.119 178.53 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 73.9 mt-30 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.205 0.526 . . . . 1.75 111.798 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -116.89 132.72 56.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.394 -0.821 . . . . 0.66 109.399 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.894 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 48.6 mt-10 -97.49 112.9 24.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.003 0.43 . . . . 2.34 110.684 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' A' ' 49' ' ' GLN . 38.1 mm -102.19 123.89 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.711 -0.677 . . . . 0.44 110.193 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -96.82 114.09 25.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.051 0.453 . . . . 0.51 110.148 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.15 140.13 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.52 110.628 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -93.23 108.68 20.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.16 -1.052 . . . . 3.71 108.16 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -128.62 150.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.113 0.483 . . . . 0.43 111.559 -172.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 p -98.07 154.48 17.69 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.511 -0.768 . . . . 1.52 109.928 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.84 70.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.767 . . . . 0.49 112.346 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.16 -4.8 46.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.975 0.417 . . . . 2.21 111.166 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.3 tp -79.61 131.99 36.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.779 -0.452 . . . . 0.3 109.779 176.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.795 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -82.29 150.11 27.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.228 -0.442 . . . . 0.44 110.438 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.641 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.2 mm -51.13 -46.71 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 113.078 0.77 . . . . 0.26 113.078 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.97 -28.64 63.9 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.736 -0.745 . . . . 0.27 112.426 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.13 -22.17 71.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.042 -0.599 . . . . 0.37 111.617 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 77' ' ' LEU . 46.4 t -77.85 -49.68 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.273 -0.64 . . . . 0.31 109.273 175.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 mtp -56.67 -38.36 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.411 -0.813 . . . . 1.26 111.098 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 tp -61.15 -38.43 86.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.674 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 62.4 mttp -67.56 -33.26 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 1.22 111.224 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.5 mm? -57.77 -49.84 75.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.708 0.289 . . . . 0.96 110.819 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.43 -36.7 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 0.65 110.24 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.9 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 2.36 111.711 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 27.9 mm-40 -62.07 -53.15 59.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.726 0.298 . . . . 1.34 111.788 -175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.645 -0.252 . . . . 1.03 110.993 -179.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 13.0 p90 . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.673 0.273 . . . . 4.26 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB3' ' HB3' ' A' ' 93' ' ' GLN . . . -170.63 167.0 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.887 -0.597 . . . . 0.66 109.899 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -98.88 134.21 42.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.694 -0.484 . . . . 1.22 109.694 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -117.29 121.07 40.14 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.053 -0.521 . . . . 0.56 110.593 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.582 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.0 t90 -90.4 110.66 21.75 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.473 -0.936 . . . . 0.35 108.473 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.17 -46.91 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.252 -0.431 . . . . 2.31 110.854 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.45 -55.03 27.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 1.69 111.89 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.7 -11.09 59.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 1.1 111.667 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 53.3 76.78 0.19 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.763 0.664 . . . . 3.52 111.295 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.64 148.33 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 1.59 110.371 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -95.79 122.08 38.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.188 -1.041 . . . . 0.57 108.188 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.641 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -73.19 102.96 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.227 0.537 . . . . 0.61 110.009 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.11 10.42 15.0 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.76 -0.83 . . . . 0.73 108.76 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.27 63.81 8.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.852 -1.067 . . . . 1.95 108.624 175.185 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 p -69.23 -19.08 63.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.645 -0.707 . . . . 0.64 111.276 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -88.66 -10.52 48.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 2.94 110.062 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 31.7 m0 -93.83 147.74 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.068 -0.515 . . . . 0.76 110.571 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.795 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -91.64 169.6 10.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.694 -0.685 . . . . 0.38 110.962 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD11 HG21 ' A' ' 42' ' ' VAL . 6.1 mp -60.07 -37.78 80.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.62 111.263 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.55 -43.0 91.21 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.834 0.349 . . . . 1.49 110.897 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.16 -42.84 93.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 1.69 111.244 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -69.84 -36.36 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.02 0.438 . . . . 0.94 110.807 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.73 11.01 58.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.69 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.86 125.13 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.85 0.357 . . . . 0.33 110.049 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -120.23 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 2.37 110.889 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.04 -16.11 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.542 0.571 . . . . 0.88 112.542 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -95.5 4.55 53.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 2.14 110.801 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.91 129.84 34.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.364 -0.38 . . . . 0.48 111.351 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -74.56 108.34 7.25 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.095 -0.706 . . . . 1.92 109.095 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 61' ' ' LEU . 16.5 tp -119.35 130.22 55.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.849 -0.614 . . . . 0.35 110.752 -171.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 17' ' ' ARG . 31.2 tp -118.7 136.9 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.839 -0.619 . . . . 0.39 110.257 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -116.34 109.24 17.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.066 -0.716 . . . . 0.4 109.066 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 12.1 t -142.68 151.97 58.39 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.42 -174.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 83.4 Cg_exo -48.01 116.22 1.85 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.913 2.408 . . . . 1.04 112.371 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.1 pt20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.946 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.0 p-90 . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 109.753 -0.462 . . . . 0.4 109.753 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 115.64 21.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.673 0.749 . . . . 2.4 111.309 -174.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.8 tp -115.4 116.56 28.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.151 -0.931 . . . . 0.76 109.329 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 5.6 p -85.18 119.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.329 0.585 . . . . 0.96 110.284 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.45 122.86 70.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.654 -0.703 . . . . 0.31 109.826 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 89' ' ' LEU . 70.8 mtp180 -89.96 115.38 27.22 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.862 -0.421 . . . . 3.03 109.862 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 43.5 t -88.32 116.44 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.051 0.453 . . . . 0.46 111.12 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.828 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 23.1 t70 -102.12 120.33 40.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.502 -0.772 . . . . 0.89 109.731 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 108.968 -0.753 . . . . 0.99 108.968 178.148 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 82.0 mt-30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 120.938 0.399 . . . . 1.75 110.064 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 20.2 m -105.78 138.24 42.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.66 110.333 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.0 mp0 -97.14 103.15 15.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.034 0.445 . . . . 2.34 109.919 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.97 109.73 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.907 -0.588 . . . . 0.44 110.436 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.2 m -91.66 113.23 25.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.51 109.541 177.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 45' ' ' LYS . 91.1 mt -110.53 144.33 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.252 -0.431 . . . . 0.52 110.344 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.74 110.01 21.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.936 -0.764 . . . . 3.71 108.936 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.5 m -123.5 158.62 28.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.329 -0.85 . . . . 0.43 110.768 -173.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 m -106.06 157.19 17.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.256 -0.429 . . . . 1.52 110.156 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 -18.35 73.13 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.695 -0.764 . . . . 0.49 111.366 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.33 -21.03 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.14 -0.53 . . . . 2.21 110.417 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.3 tp -75.54 143.17 42.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.819 -0.628 . . . . 0.3 109.998 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 39.9 p-80 -92.22 156.65 17.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.203 -0.295 . . . . 0.44 110.203 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 16.8 mm -54.64 -39.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.767 0.427 . . . . 0.26 112.15 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.27 68.45 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.06 -0.591 . . . . 0.27 112.24 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -74.84 -32.63 56.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.936 -0.649 . . . . 0.37 111.538 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 77' ' ' LEU . 32.7 t -65.04 -44.25 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.31 109.64 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.485 ' HE3' HG22 ' A' ' 73' ' ' THR . 63.9 mtt -54.34 -49.45 69.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.822 -0.626 . . . . 1.26 110.288 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -55.24 -44.75 75.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.991 -1.004 . . . . 1.02 110.988 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 31' ' ' LEU . 65.8 mttm -64.11 -38.28 90.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.37 -0.377 . . . . 1.22 111.948 -177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 18' ' ' VAL . 2.9 mm? -61.89 -44.8 96.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.96 110.521 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.0 -41.3 87.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.42 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.2 -48.35 76.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.826 -0.625 . . . . 2.36 111.291 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 49' ' ' GLN . 6.5 tp60 -61.02 -53.76 53.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 1.34 111.65 -173.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.463 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 46.1 mtm . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 1.03 110.09 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.725 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 25.1 p90 . . . . . 0 N--CA 1.456 -0.165 0 N-CA-C 110.399 -0.223 . . . . 4.26 110.399 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 43' ' ' MET . . . -155.08 167.2 31.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.327 . . . . 0.66 111.173 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.4 mm? -93.01 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 1.22 110.819 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 32.9 t-105 -111.9 112.39 24.01 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.464 -0.789 . . . . 0.56 109.358 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.566 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -82.97 110.26 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 0.35 108.586 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -68.68 -41.17 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.67 0.271 . . . . 2.31 111.601 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.78 -17.72 64.08 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.955 0.354 . . . . 1.69 111.955 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -110.72 -25.15 10.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.73 0.3 . . . . 1.1 110.649 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 59.37 72.72 0.51 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.528 -0.76 . . . . 3.52 109.757 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -159.12 150.09 19.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.47 -0.786 . . . . 1.59 110.147 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -96.42 124.74 40.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.618 -0.512 . . . . 0.57 109.618 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.5 mm? -77.09 104.84 7.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.61 109.846 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.7 mt -107.26 -15.91 14.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.73 111.382 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -78.83 75.5 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.109 0.956 . . . . 1.95 109.454 173.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 59.4 p -68.16 -34.22 75.91 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.663 -1.153 . . . . 0.64 111.905 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.414 ' CD2' ' HD1' ' A' ' 75' ' ' TRP . 8.6 p-80 -83.85 -0.14 49.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.898 -0.321 . . . . 2.94 111.499 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.414 ' HD1' ' CD2' ' A' ' 74' ' ' HIS . 21.3 m0 -84.8 137.68 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.096 -0.705 . . . . 0.76 109.096 173.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.852 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 78.1 p -73.83 163.34 28.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.38 110.752 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.2 mp -57.88 -41.32 82.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.976 -0.556 . . . . 0.62 110.85 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.6 -37.6 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.372 . . . . 1.49 110.593 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -62.86 -34.49 77.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 1.69 110.619 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.73 -42.93 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.476 . . . . 0.94 110.679 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.42 -1.91 32.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.35 112.321 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 86' ' ' ALA . 2.2 p -79.03 113.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.242 0.544 . . . . 0.33 110.442 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -112.22 -169.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.797 -0.638 . . . . 2.37 110.859 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.98 44.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.552 0.575 . . . . 0.88 112.552 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.03 -1.8 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.803 0.335 . . . . 2.14 110.796 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -91.25 136.84 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.988 0.423 . . . . 0.48 111.419 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -84.7 114.97 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.912 -0.773 . . . . 1.92 108.912 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.77 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.0 tp -121.86 128.08 51.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 0.35 111.335 -172.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 17' ' ' ARG . 14.4 tp -109.23 143.57 38.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 0.39 109.064 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 33.9 t80 -120.82 108.57 14.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.052 0.453 . . . . 0.4 110.317 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.828 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.32 147.23 39.42 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.966 -0.753 . . . . 0.6 108.966 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.725 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 78.1 Cg_exo -51.48 139.56 46.2 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.112 1.875 . . . . 1.04 111.479 173.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 122.128 0.966 . . . . 1.46 110.319 -178.013 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 9.2 p-90 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 120.956 0.408 . . . . 0.4 110.377 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.88 105.67 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.547 . . . . 2.4 111.503 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.5 tp -100.16 117.84 35.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.601 -0.727 . . . . 0.76 109.741 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.77 118.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.553 0.692 . . . . 0.96 110.113 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.05 123.69 71.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.238 -0.892 . . . . 0.31 109.124 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 89' ' ' LEU . 57.0 ttt180 -93.99 118.77 31.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.696 -0.483 . . . . 3.03 109.696 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 ' HD2' ' A' ' 90' ' ' PHE . 37.0 t -85.42 121.62 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.256 -0.429 . . . . 0.46 110.577 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.864 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 22.9 t70 -97.12 124.82 41.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.915 -0.772 . . . . 0.89 108.915 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.326 -0.397 . . . . 0.99 111.675 -169.67 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.349 -0.612 . . . . 1.75 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -121.2 130.74 53.85 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.594 -0.275 . . . . 0.66 110.84 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.49 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.47 -0.567 . . . . 2.34 109.47 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.438 HG22 ' HG ' ' A' ' 31' ' ' LEU . 46.6 mm -101.65 123.86 55.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.83 -0.623 . . . . 0.44 111.254 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -97.94 107.08 19.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.019 -0.537 . . . . 0.51 109.974 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HG ' HG22 ' A' ' 29' ' ' ILE . 90.5 mt -107.12 133.8 51.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.214 -0.448 . . . . 0.52 110.187 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -91.82 108.47 19.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.691 -0.855 . . . . 3.71 108.691 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.35 146.37 33.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.43 111.29 -172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -92.73 154.15 18.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.747 -0.66 . . . . 1.52 109.302 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.438 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -58.78 -26.62 60.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.084 -0.579 . . . . 0.49 112.98 -176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.31 15.06 14.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.694 0.283 . . . . 2.21 111.763 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 tp -85.76 126.59 34.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.518 . . . . 0.3 109.603 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.4 p-80 -76.17 146.74 38.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.44 111.116 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 70' ' ' LEU . 16.6 mm -52.22 -43.21 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.382 0.673 . . . . 0.26 112.191 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.56 60.6 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.766 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -79.57 -37.22 24.16 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.383 -0.687 . . . . 0.37 111.383 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.19 -43.29 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.549 -0.538 . . . . 0.31 109.549 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.459 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 73.0 mtp -54.01 -41.87 68.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.359 -0.837 . . . . 1.26 111.544 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.34 -36.58 79.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.4 . . . . 1.02 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.608 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.2 mttt -65.66 -32.4 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.248 -176.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -59.0 -52.34 66.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.37 . . . . 0.96 110.157 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.52 -41.53 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.65 110.79 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.89 -32.13 73.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.855 -0.611 . . . . 2.36 111.591 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 15.2 mm100 -66.57 -54.15 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 1.34 111.782 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 C--N 1.328 -0.33 0 C-N-CA 121.027 -0.269 . . . . 1.03 111.02 -179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.4 p90 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.447 0.165 . . . . 4.26 110.628 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.15 170.91 7.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.66 110.281 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.797 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.0 mm? -91.98 125.81 36.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 1.22 111.117 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.405 ' HD1' ' HB3' ' A' ' 89' ' ' LEU . 41.6 t-105 -102.99 111.2 23.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.56 109.573 175.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -82.79 108.63 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.098 -1.075 . . . . 0.35 108.098 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.75 -35.61 75.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.439 -171.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 91.9 mt-30 -68.02 -45.78 73.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 1.69 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 70.9 mmtt -96.09 -1.52 48.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.059 -0.256 . . . . 1.1 111.156 -175.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 54.14 53.17 11.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.024 -0.534 . . . . 3.52 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.6 p -142.24 148.07 37.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.391 . . . . 1.59 111.272 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.9 132.49 43.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.074 -0.512 . . . . 0.57 109.793 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.5 mm? -82.63 103.19 11.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.173 -0.677 . . . . 0.61 109.173 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -115.22 -11.6 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.008 -0.542 . . . . 0.73 110.924 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.86 79.49 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.631 -0.877 . . . . 1.95 108.631 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.422 HG22 ' SD ' ' A' ' 43' ' ' MET . 18.8 p -67.54 -19.52 65.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.372 -0.831 . . . . 0.64 112.54 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -86.01 -17.42 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 2.94 110.494 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -77.0 149.23 35.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.386 -0.37 . . . . 0.76 110.221 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 60.0 p -95.0 174.29 7.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.251 -0.431 . . . . 0.38 110.77 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -41.63 90.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.17 0.51 . . . . 0.62 109.646 173.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.73 -37.41 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.128 -0.942 . . . . 1.49 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -69.1 -42.6 75.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 1.69 110.627 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.37 -34.89 63.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.94 111.065 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.47 20.88 25.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.35 112.525 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.36 127.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.33 110.58 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -109.7 -179.62 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.766 -0.652 . . . . 2.37 110.104 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.18 66.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.088 0.471 . . . . 0.88 110.962 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -83.61 19.76 1.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.779 -0.646 . . . . 2.14 111.074 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.04 136.4 49.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.891 0.377 . . . . 0.48 111.077 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 2.8 m-20 -71.91 96.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 1.92 109.58 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.797 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.4 tp -110.77 116.21 30.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.172 0.511 . . . . 0.35 110.166 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.3 tp -108.02 130.21 55.08 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.466 -0.788 . . . . 0.39 109.28 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.659 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 63.1 t80 -103.27 107.62 18.52 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.462 -0.57 . . . . 0.4 109.462 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.864 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -144.32 151.36 51.09 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 0.6 110.212 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.12 144.59 89.79 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.733 2.288 . . . . 1.04 111.789 172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 1.46 111.224 -175.216 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 17.6 p-90 . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 120.769 0.318 . . . . 0.4 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.17 115.36 27.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.172 0.51 . . . . 2.4 110.606 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 55.8 tp -94.72 125.23 39.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.76 110.054 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 p -93.36 119.48 41.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.493 0.663 . . . . 0.96 109.837 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 46' ' ' LEU . 61.9 t -122.58 127.03 74.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.717 -0.674 . . . . 0.31 109.755 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 89' ' ' LEU . 77.8 mtp180 -95.96 120.05 35.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.318 -0.623 . . . . 3.03 109.318 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 90' ' ' PHE . 54.9 t -90.89 130.95 39.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.883 -0.598 . . . . 0.46 111.329 -175.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.616 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 14.4 t70 -97.75 131.18 44.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.727 -0.842 . . . . 0.89 108.727 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 . . . . . 0 C--N 1.317 -0.805 0 C-N-CA 120.833 -0.347 . . . . 0.99 110.897 -176.094 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 . . . . . 0 C--O 1.226 -0.135 0 N-CA-C 110.205 -0.294 . . . . 1.75 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -99.25 135.51 40.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.039 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.5 mp0 -97.31 109.0 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 2.34 110.425 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.621 HG23 ' HG2' ' A' ' 49' ' ' GLN . 46.5 mm -106.64 136.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.498 -0.774 . . . . 0.44 110.202 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m -120.21 105.34 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.035 0.445 . . . . 0.51 110.133 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 49' ' ' GLN . 94.8 mt -110.57 144.64 39.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.52 110.828 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -92.57 109.29 20.7 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.017 -0.735 . . . . 3.71 109.017 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.86 147.48 20.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.097 0.475 . . . . 0.43 111.155 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -99.52 157.94 16.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.69 -0.686 . . . . 1.52 109.94 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -25.85 63.87 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.128 -0.558 . . . . 0.49 112.34 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -99.96 22.43 11.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.417 0.627 . . . . 2.21 110.541 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.71 121.04 39.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.624 -0.51 . . . . 0.3 109.624 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.3 p-80 -77.24 149.94 35.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.44 111.413 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 75' ' ' TRP . 15.5 mm -53.81 -40.1 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 115.737 -0.665 . . . . 0.26 111.886 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.8 -31.28 60.75 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.156 -0.545 . . . . 0.27 112.598 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.43 -38.21 29.34 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.273 -0.731 . . . . 0.37 111.273 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.91 -42.35 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.631 -0.507 . . . . 0.31 109.631 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' HG22 ' A' ' 73' ' ' THR . 74.3 mtp -52.4 -50.56 62.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.697 -0.683 . . . . 1.26 111.326 177.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.35 -37.85 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 1.02 110.879 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 36.9 mttp -66.75 -30.68 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 1.22 111.809 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.1 mm? -58.17 -48.68 79.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.96 109.945 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.98 -41.37 89.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.65 110.319 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 34.3 tt0 -60.28 -45.26 93.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 2.36 111.525 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' HG2' HG23 ' A' ' 29' ' ' ILE . 8.5 tp-100 -64.7 -38.37 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.888 -0.597 . . . . 1.34 111.152 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.9 mtm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 1.03 111.062 179.588 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 30.2 p90 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.36 -0.237 . . . . 4.26 110.36 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.59 174.79 14.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.745 0.307 . . . . 0.66 110.702 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.9 mm? -94.38 133.35 38.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.254 0.549 . . . . 1.22 111.09 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -110.58 110.66 21.45 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.56 109.166 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.82 108.74 16.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.888 -1.153 . . . . 0.35 107.888 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -67.64 -40.07 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 2.31 110.925 -172.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.31 -23.14 64.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.808 -0.633 . . . . 1.69 111.491 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -104.81 -13.92 15.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.556 -0.293 . . . . 1.1 110.924 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 57.05 41.78 26.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.316 0.579 . . . . 3.52 110.154 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -131.38 149.3 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.339 -0.846 . . . . 1.59 110.868 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 93' ' ' GLN . 88.7 m95 -95.7 135.75 36.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 0.57 109.235 176.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.78 104.26 13.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.001 0.429 . . . . 0.61 110.145 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -111.49 -1.37 15.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.757 -0.656 . . . . 0.73 109.528 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HD3' ' CE3' ' A' ' 75' ' ' TRP . 51.1 mttp -80.31 69.46 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.181 -0.918 . . . . 1.95 109.273 174.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.424 HG22 ' SD ' ' A' ' 43' ' ' MET . 34.0 p -65.19 -31.37 72.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.089 -0.96 . . . . 0.64 111.88 -173.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -85.33 -11.47 54.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 2.94 110.623 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.456 ' CE3' ' HD3' ' A' ' 72' ' ' LYS . 15.6 m0 -85.72 151.81 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.505 . . . . 0.76 109.887 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.5 p -94.23 175.9 6.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.628 -0.26 . . . . 0.38 111.088 -176.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -48.21 82.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.155 0.503 . . . . 0.62 109.884 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.48 -39.38 94.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.455 -0.793 . . . . 1.49 110.663 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 58.6 tptt -67.03 -39.23 86.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 1.69 111.262 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.83 -37.18 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.94 111.136 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.67 5.76 41.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.35 112.665 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.38 131.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.957 0.408 . . . . 0.33 110.449 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.56 -175.54 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.618 . . . . 2.37 110.268 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.0 65.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.43 . . . . 0.88 111.578 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.93 -16.23 55.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 2.14 111.197 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.31 137.33 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.448 -0.342 . . . . 0.48 111.453 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -74.79 107.94 7.21 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.072 -0.513 . . . . 1.92 110.049 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.682 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.9 tp -113.71 125.81 54.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.35 110.507 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.4 tp -104.99 137.62 42.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.774 -0.648 . . . . 0.39 109.532 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 61.3 t80 -109.22 109.7 20.71 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.524 -0.47 . . . . 0.4 109.882 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 6.5 t -142.67 142.14 22.13 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.262 -0.427 . . . . 0.6 110.447 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 55.9 Cg_endo -72.87 134.47 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.202 1.935 . . . . 1.04 111.804 174.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 69' ' ' TRP . 9.6 pt20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 121.44 0.638 . . . . 1.46 109.846 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CH2' HD23 ' A' ' 77' ' ' LEU . 5.4 p-90 . . . . . 0 N--CA 1.443 -0.777 0 N-CA-C 109.613 -0.514 . . . . 0.4 109.613 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HB2' HG22 ' A' ' 30' ' ' THR . 12.3 pt-20 -88.55 122.82 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.559 0.695 . . . . 2.4 110.543 -177.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' HA ' ' A' ' 84' ' ' ALA . 65.1 tp -111.86 118.0 34.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.081 -0.963 . . . . 0.76 110.146 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 28' ' ' GLU . 3.0 p -82.4 119.09 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.428 0.632 . . . . 0.96 109.981 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.605 ' HB ' HD21 ' A' ' 46' ' ' LEU . 41.1 t -106.16 122.23 59.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.31 109.2 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.3 mpt_? -81.68 111.32 17.84 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.147 -0.686 . . . . 3.03 109.147 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.547 ' HB ' ' HB ' ' A' ' 27' ' ' THR . 42.6 t -94.9 113.29 29.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 120.902 0.382 . . . . 0.46 110.966 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 125.36 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.965 -0.561 . . . . 0.89 109.553 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 120.224 -0.59 . . . . 0.99 110.323 -178.386 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 N--CA 1.438 -1.046 0 CA-C-O 121.124 0.488 . . . . 1.75 109.699 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.547 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 21.6 m -86.74 141.56 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.535 -0.757 . . . . 0.66 110.902 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 15' ' ' VAL . 21.7 tt0 -98.65 110.66 23.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.027 0.442 . . . . 2.34 109.845 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.46 104.37 16.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.44 109.324 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 6.7 m -96.09 107.06 19.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.777 -0.647 . . . . 0.51 109.899 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.071 -0.513 . . . . 0.52 110.368 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.599 -1.26 . . . . 3.71 107.599 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.8 m -131.24 164.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.225 0.536 . . . . 0.43 111.85 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -126.91 157.21 40.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.52 109.743 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.66 ' HA3' ' OD2' ' A' ' 78' ' ' ASP . . . -61.87 -19.39 58.63 Favored Glycine 0 N--CA 1.454 -0.149 0 C-N-CA 121.151 -0.547 . . . . 0.49 113.562 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.75 -3.92 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.681 0.276 . . . . 2.21 111.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 77' ' ' LEU . 54.3 tp -83.63 139.09 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.681 -0.489 . . . . 0.3 109.681 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 45.6 p-80 -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.78 0.324 . . . . 0.44 111.115 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.0 mm -54.11 -41.78 52.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.561 -0.745 . . . . 0.26 112.593 -175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -31.11 66.3 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.992 -0.623 . . . . 0.27 112.349 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.42 -40.76 47.25 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.266 -0.733 . . . . 0.37 111.266 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 77' ' ' LEU . 41.4 t -61.32 -44.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.31 109.983 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.642 ' HA ' HD12 ' A' ' 46' ' ' LEU . 64.0 mtp -60.23 -39.44 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.485 -0.779 . . . . 1.26 110.941 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -71.25 -43.31 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 1.02 110.787 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.77 -28.52 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 1.22 111.192 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 43' ' ' MET . 42.7 mt -62.27 -51.67 66.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.339 -0.391 . . . . 0.96 110.897 176.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.54 -39.08 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.65 110.262 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.7 -43.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.803 -0.635 . . . . 2.36 110.608 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.19 -46.65 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.624 . . . . 1.34 110.537 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 C--O 1.233 0.214 0 CA-C-N 116.055 -0.521 . . . . 1.03 110.763 179.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 5.5 p90 . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 122.107 0.956 . . . . 4.26 112.906 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.26 159.67 40.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.66 110.634 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 88' ' ' LEU . 22.3 tp -92.75 141.83 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.559 -0.534 . . . . 1.22 109.559 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -123.91 123.0 39.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.091 0.472 . . . . 0.56 110.633 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.447 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.4 t90 -89.08 110.46 21.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.108 -0.701 . . . . 0.35 109.108 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.89 -35.83 79.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 2.31 111.727 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.748 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 24.2 mt-30 -84.84 3.48 37.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.57 -0.286 . . . . 1.69 111.712 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.7 -30.53 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.151 -0.22 . . . . 1.1 111.495 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 64.87 80.32 0.23 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.287 0.565 . . . . 3.52 110.291 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -168.76 148.19 4.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 1.59 109.831 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -96.04 122.63 39.07 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.57 109.002 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.8 mm? -75.49 103.5 5.65 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.552 -0.536 . . . . 0.61 109.552 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -108.16 -2.01 19.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.392 -0.966 . . . . 0.73 108.392 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 88.1 mttt -76.93 59.54 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.348 -1.296 . . . . 1.95 109.343 174.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -67.85 -25.46 65.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.64 111.374 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -89.67 0.39 56.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 2.94 110.688 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 11.4 m0 -92.39 144.19 25.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.76 109.367 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 53.9 p -84.82 169.75 13.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.945 0.402 . . . . 0.38 111.222 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD11 HG21 ' A' ' 42' ' ' VAL . 4.9 mp -58.07 -48.84 78.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.245 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.66 ' OD2' ' HA3' ' A' ' 35' ' ' GLY . 1.9 m-20 -70.53 -30.01 66.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.493 -0.322 . . . . 1.49 110.945 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 56.0 tptt -64.55 -40.99 96.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.98 0.419 . . . . 1.69 110.401 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -79.14 -33.16 44.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.94 110.61 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.66 20.02 20.7 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.684 -0.769 . . . . 0.35 112.415 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.34 118.54 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.33 110.576 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -105.93 -173.0 2.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.451 -0.795 . . . . 2.37 110.877 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -71.67 -30.25 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.411 . . . . 0.88 110.839 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.41 44.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.805 0.812 . . . . 2.14 109.867 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.54 127.6 37.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.302 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.748 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 5.1 m-20 -65.21 110.85 2.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.271 -0.422 . . . . 1.92 110.016 177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 61' ' ' LEU . 20.5 tp -123.79 127.04 47.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.48 -174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' ARG . 25.3 tp -115.47 148.51 39.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.653 -0.703 . . . . 0.39 109.698 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -125.97 110.83 14.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.247 -0.649 . . . . 0.4 109.247 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -141.52 140.3 20.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.986 -0.552 . . . . 0.6 110.13 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 34.5 Cg_endo -65.79 132.62 31.1 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.243 1.962 . . . . 1.04 111.621 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.418 0.628 . . . . 1.46 110.267 179.539 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.682 ' CH2' HD23 ' A' ' 77' ' ' LEU . 3.8 p-90 . . . . . 0 N--CA 1.45 -0.47 0 CA-C-O 120.879 0.371 . . . . 0.4 111.541 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -81.58 110.53 17.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 2.4 111.167 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.6 tp -104.21 119.59 39.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.117 -0.697 . . . . 0.76 109.117 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -92.22 119.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.616 0.722 . . . . 0.96 109.994 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.586 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 57.0 t -116.09 112.69 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.469 -0.787 . . . . 0.31 109.337 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.746 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 39.3 mtm180 -87.28 111.55 21.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.011 -0.54 . . . . 3.03 110.093 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.7 t -83.17 112.03 20.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.762 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.35 105.32 17.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.485 -0.78 . . . . 0.89 109.583 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.01 -0.541 . . . . 0.99 109.748 -179.032 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.14 0.495 . . . . 1.75 110.252 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 26.6 m -78.41 128.04 33.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.54 -0.755 . . . . 0.66 110.286 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.4 mt-10 -97.7 101.1 12.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.164 0.506 . . . . 2.34 110.493 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.4 mm -96.85 122.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.509 -0.768 . . . . 0.44 110.181 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m -100.0 102.92 14.42 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.168 -0.469 . . . . 0.51 109.905 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' HG22 ' A' ' 29' ' ' ILE . 91.0 mt -104.4 140.55 37.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.24 -0.436 . . . . 0.52 110.541 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 32' ' ' ARG . 37.8 ttp180 -95.61 107.9 20.13 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.937 -0.764 . . . . 3.71 108.937 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.4 159.39 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.874 -0.603 . . . . 0.43 111.406 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -115.4 162.04 17.7 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.457 -0.571 . . . . 1.52 109.457 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -61.51 -25.83 65.69 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.401 -0.428 . . . . 0.49 114.167 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.82 -7.08 50.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.181 0.491 . . . . 2.21 111.82 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.5 tp -79.03 137.03 37.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.498 -0.556 . . . . 0.3 109.498 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -85.55 150.11 24.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.178 -0.209 . . . . 0.44 110.594 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.766 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.6 mm -54.32 -38.8 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 122.941 0.497 . . . . 0.26 112.162 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.63 -30.05 71.28 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.812 -0.709 . . . . 0.27 112.235 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.77 -35.44 54.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.209 -0.756 . . . . 0.37 111.209 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 77' ' ' LEU . 42.0 t -63.04 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.54 -0.541 . . . . 0.31 109.54 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.754 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 52.6 ttm -54.1 -47.37 71.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.573 -0.739 . . . . 1.26 110.612 177.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.9 -38.97 93.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.894 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.22 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.452 -0.34 . . . . 1.22 111.776 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.3 mm? -62.42 -46.84 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.96 110.269 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.97 -41.24 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.077 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.27 -38.34 83.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 2.36 111.399 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' HG23 ' A' ' 29' ' ' ILE . 9.0 tp-100 -72.5 -31.75 65.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.292 -0.413 . . . . 1.34 111.598 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 C--N 1.324 -0.526 0 C-N-CA 120.845 -0.342 . . . . 1.03 111.709 -177.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 N-CA-C 111.252 0.093 . . . . 4.26 111.252 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -156.33 175.65 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 0.66 111.576 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.3 mm? -91.77 142.14 27.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.923 -0.581 . . . . 1.22 110.998 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.409 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 22.3 t-105 -118.75 118.93 32.92 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.492 -0.776 . . . . 0.56 109.089 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.527 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -82.19 110.22 17.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.093 -1.077 . . . . 0.35 108.093 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.76 -36.62 80.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.575 -0.739 . . . . 2.31 111.543 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -74.09 -31.03 62.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.998 -0.546 . . . . 1.69 111.741 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 74.9 mmtt -103.35 -11.19 18.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.1 110.776 -175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 58.6 mtp180 58.06 55.0 5.5 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.385 0.612 . . . . 3.52 110.558 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.0 p -145.73 151.58 38.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 1.59 110.566 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -94.48 132.52 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.35 -0.611 . . . . 0.57 109.35 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.4 mm? -82.37 103.16 11.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.093 0.473 . . . . 0.61 109.747 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.2 mt -103.33 4.39 36.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.61 -0.885 . . . . 0.73 108.61 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 60.8 mttp -85.35 51.45 2.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.395 -1.275 . . . . 1.95 109.577 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.766 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 23.7 p -67.5 -27.46 67.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.64 111.464 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.17 -15.14 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.326 0.584 . . . . 2.94 110.156 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 8.9 m0 -87.0 151.64 23.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.769 -0.65 . . . . 0.76 109.638 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.887 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.8 p -85.48 166.64 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.385 -0.37 . . . . 0.38 111.049 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -58.14 -43.17 87.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 0.62 110.435 176.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.4 -33.98 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 1.49 110.695 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -67.92 -44.84 75.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.69 110.354 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.23 -52.4 23.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.94 111.065 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.44 5.41 12.75 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.582 -0.818 . . . . 0.35 112.687 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.84 114.99 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.183 0.516 . . . . 0.33 110.311 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.0 -166.6 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.766 -0.652 . . . . 2.37 111.215 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 12' ' ' TRP . . . -61.73 -32.67 72.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.921 0.711 . . . . 0.88 112.921 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -80.36 2.12 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.599 0.238 . . . . 2.14 111.614 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.2 127.38 41.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.029 0.442 . . . . 0.48 112.011 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.38 116.63 14.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.74 -0.663 . . . . 1.92 109.927 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.2 tp -116.94 131.03 57.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.125 0.488 . . . . 0.35 110.375 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 17' ' ' ARG . 21.8 tp -111.36 137.17 49.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.39 109.473 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.754 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 2.8 t80 -110.14 107.55 17.41 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.4 108.805 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 t -144.5 150.08 46.29 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.453 -0.34 . . . . 0.6 110.477 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.37 133.73 16.39 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.918 1.745 . . . . 1.04 111.666 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.058 0.456 . . . . 1.46 110.625 179.618 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 5.0 p-90 . . . . . 0 N--CA 1.442 -0.843 0 CA-C-O 120.808 0.337 . . . . 0.4 110.658 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER -83.78 124.67 31.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.413 0.625 . . . . 2.4 110.379 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 84' ' ' ALA . 54.7 tp -119.48 119.55 34.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.306 -0.861 . . . . 0.76 109.889 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 7.5 p -85.36 120.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.324 0.583 . . . . 0.96 109.48 174.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 46' ' ' LEU . 47.5 t -111.17 126.59 68.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.774 -0.648 . . . . 0.31 109.592 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HD12 ' A' ' 89' ' ' LEU . 83.3 mtp180 -86.93 112.14 21.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.209 -0.451 . . . . 3.03 110.119 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' PHE . 61.7 t -85.45 115.56 27.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.46 110.178 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.8 t70 -96.47 104.15 16.11 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.324 -0.621 . . . . 0.89 109.324 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.575 -0.528 . . . . 0.99 109.575 179.58 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 108.87 -0.789 . . . . 1.75 108.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 m -88.42 124.82 34.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.159 -0.473 . . . . 0.66 110.766 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.11 120.94 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.366 0.603 . . . . 2.34 109.592 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.544 HG22 ' HG ' ' A' ' 31' ' ' LEU . 50.0 mm -116.24 120.81 65.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.48 -0.782 . . . . 0.44 110.466 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 26.1 m -100.86 103.78 14.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.51 110.218 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HG ' HG22 ' A' ' 29' ' ' ILE . 82.6 mt -111.45 140.77 45.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.865 -0.607 . . . . 0.52 109.654 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 36.8 ttm180 -91.91 113.44 25.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.042 -0.725 . . . . 3.71 109.042 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.29 149.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.244 -0.889 . . . . 0.43 110.533 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -98.25 157.69 16.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.746 -0.661 . . . . 1.52 109.753 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -62.15 -25.53 66.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.888 -0.672 . . . . 0.49 112.861 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.09 10.68 28.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.635 0.255 . . . . 2.21 111.518 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 56.4 tp -89.48 124.5 34.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.3 110.206 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.3 p-80 -80.34 150.85 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.073 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.532 HG21 ' HB3' ' A' ' 70' ' ' LEU . 18.5 mm -50.27 -44.81 23.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.745 0.818 . . . . 0.26 112.447 -175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.71 -34.09 75.49 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.817 -0.706 . . . . 0.27 112.587 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.03 61.61 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.343 -0.703 . . . . 0.37 111.343 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.98 -48.28 79.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.548 -0.538 . . . . 0.31 109.548 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.8 mtp -55.93 -42.47 76.15 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.509 -0.768 . . . . 1.26 111.423 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.81 -42.08 95.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.972 -0.558 . . . . 1.02 110.59 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.48 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.455 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.1 mm? -59.37 -52.12 66.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.796 0.332 . . . . 0.96 110.434 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.69 -43.29 98.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.65 110.567 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -65.14 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 2.36 111.319 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.6 tp60 -60.44 -50.27 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 1.34 110.692 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.5 mtm . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.03 110.124 178.084 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 25.5 p90 . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 110.22 -0.289 . . . . 4.26 110.22 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.68 159.91 41.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 0.66 110.892 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 11.8 tp -93.24 133.76 36.13 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.83 -0.623 . . . . 1.22 109.752 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -113.34 122.7 48.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.083 -0.508 . . . . 0.56 110.648 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.497 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -96.08 109.76 22.12 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.686 -0.857 . . . . 0.35 108.686 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 2.31 111.608 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.99 -4.94 38.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 1.69 111.814 -172.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -123.47 -12.62 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.137 -0.32 . . . . 1.1 110.137 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 51.04 65.73 1.39 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.598 -0.728 . . . . 3.52 110.339 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -148.65 148.05 29.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.394 -0.821 . . . . 1.59 110.404 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 84.8 m95 -96.77 126.58 42.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.57 108.797 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HB3' HG21 ' A' ' 39' ' ' ILE . 4.0 mm? -70.87 103.48 2.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.249 0.547 . . . . 0.61 110.033 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -109.91 4.07 21.18 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.623 -0.88 . . . . 0.73 108.623 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 43.0 mmtm -86.96 56.37 3.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.566 -1.197 . . . . 1.95 108.735 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.51 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 17.6 p -62.13 -25.99 68.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.549 -0.751 . . . . 0.64 112.166 -172.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -84.1 -16.07 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 2.94 110.615 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.462 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.6 m0 -79.54 149.27 31.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.76 109.937 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.728 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.5 p -89.79 173.09 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.696 -0.229 . . . . 0.38 110.503 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -57.53 -49.22 77.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.242 0.544 . . . . 0.62 110.05 176.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.36 -41.65 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.174 -0.921 . . . . 1.49 110.774 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 85.9 tttt -65.96 -41.52 91.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.69 111.261 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.28 -40.33 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.447 -0.342 . . . . 0.94 110.672 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.98 15.16 17.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.647 -0.787 . . . . 0.35 112.42 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.75 121.3 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.305 0.574 . . . . 0.33 110.564 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.515 ' HG3' ' H ' ' A' ' 85' ' ' ASP . 15.7 pt20 -112.68 -176.88 3.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 2.37 110.36 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.88 111.549 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.515 ' H ' ' HG3' ' A' ' 83' ' ' GLN . 5.0 m-20 -89.43 -14.11 36.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 2.14 110.561 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.77 130.85 35.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.073 -0.512 . . . . 0.48 111.04 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.7 110.63 6.38 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.601 -0.518 . . . . 1.92 109.601 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 15.3 tp -113.0 129.48 56.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.703 -0.681 . . . . 0.35 110.387 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 17' ' ' ARG . 12.8 tp -112.72 148.0 35.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.737 -0.665 . . . . 0.39 109.452 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 54.1 t80 -126.72 110.78 13.51 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.734 -0.469 . . . . 0.4 109.734 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.1 t -142.55 147.23 41.92 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.435 -0.348 . . . . 0.6 111.016 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -54.58 127.89 27.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 1.04 110.668 169.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 3.9 pt20 . . . . . 0 C--N 1.325 -0.476 0 C-N-CA 120.44 -0.504 . . . . 1.46 110.661 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.7 p-90 . . . . . 0 N--CA 1.444 -0.747 0 N-CA-C 109.905 -0.406 . . . . 0.4 109.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.58 108.56 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.577 0.703 . . . . 2.4 111.306 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 62.8 tp -91.84 125.65 36.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.362 -0.835 . . . . 0.76 110.224 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 p -95.51 120.11 44.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.354 0.597 . . . . 0.96 109.667 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.1 t -117.6 128.31 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.722 -0.672 . . . . 0.31 109.975 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.702 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 51.7 mtp180 -91.0 120.7 32.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.065 -0.516 . . . . 3.03 109.896 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -87.75 121.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 120.921 0.391 . . . . 0.46 111.05 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.753 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 16.9 t70 -97.28 106.24 18.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.376 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 116.143 -0.48 . . . . 0.99 110.007 -177.521 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.732 -0.84 . . . . 1.75 108.732 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -117.16 124.56 49.44 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.854 -0.338 . . . . 0.66 111.416 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.4 mp0 -98.42 107.76 20.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.822 -0.436 . . . . 2.34 109.822 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.496 HG22 ' HG ' ' A' ' 31' ' ' LEU . 43.8 mm -105.88 132.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.22 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.9 m -107.96 111.18 23.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.977 0.417 . . . . 0.51 110.22 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 29' ' ' ILE . 97.4 mt -116.1 145.25 43.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.496 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -91.15 109.79 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.266 -0.642 . . . . 3.71 109.266 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.37 164.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.545 -0.752 . . . . 0.43 110.613 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -118.2 165.18 14.12 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.776 -0.453 . . . . 1.52 109.776 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.92 -25.12 74.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.675 -0.774 . . . . 0.49 112.79 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -85.55 -2.37 58.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.977 0.417 . . . . 2.21 111.062 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.9 tp -76.32 127.54 33.07 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.3 109.069 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.905 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 16.8 p-80 -86.01 155.47 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.658 -0.417 . . . . 0.44 110.752 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.801 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.4 mm -50.86 -42.78 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.689 -0.687 . . . . 0.26 112.637 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.665 ' HA2' ' HE2' ' A' ' 43' ' ' MET . . . -56.11 -37.08 70.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.155 -0.545 . . . . 0.27 113.043 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.61 -35.64 67.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.924 -0.655 . . . . 0.37 111.846 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 77' ' ' LEU . 40.8 t -64.42 -47.27 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.713 0.292 . . . . 0.31 110.218 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.665 ' HE2' ' HA2' ' A' ' 40' ' ' GLY . 31.6 mtm -59.81 -37.73 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 1.26 110.741 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.2 tp -64.13 -45.31 89.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 1.02 110.498 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -64.15 -32.05 73.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 1.22 111.339 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -58.3 -45.05 88.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.007 0.432 . . . . 0.96 110.418 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.37 -43.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 0.65 110.522 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.1 mt-10 -61.7 -35.9 79.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.287 -0.415 . . . . 2.36 111.128 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 24.6 tp60 -61.36 -45.16 95.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.87 -0.604 . . . . 1.34 111.396 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.7 mtm . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.03 111.208 -176.764 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 36.6 p90 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.232 -0.284 . . . . 4.26 110.232 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' SD ' ' A' ' 43' ' ' MET . . . -145.16 157.83 43.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.66 111.06 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 88' ' ' LEU . 10.2 tp -95.57 138.91 32.58 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.577 -0.527 . . . . 1.22 109.577 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -122.27 119.59 31.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.993 0.425 . . . . 0.56 110.385 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.3 t90 -83.96 111.02 18.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.728 -0.841 . . . . 0.35 108.728 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 89' ' ' LEU . 4.5 mm-40 -66.44 -42.84 87.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 2.31 111.517 -175.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 91.0 mt-30 -63.14 -27.44 69.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 1.69 111.449 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.51 -9.26 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.233 -0.439 . . . . 1.1 111.311 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 14.0 ptp180 38.31 72.77 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.028 0.918 . . . . 3.52 110.776 -168.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -150.49 149.57 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.876 -1.057 . . . . 1.59 110.262 -171.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -95.17 126.2 40.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.162 -0.681 . . . . 0.57 109.162 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 mm? -77.78 103.26 7.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.134 0.492 . . . . 0.61 109.752 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -105.05 -8.72 18.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.885 -0.783 . . . . 0.73 108.885 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -79.24 52.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.712 -1.131 . . . . 1.95 109.175 173.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.801 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 32.7 p -66.05 -22.24 66.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 0.64 111.465 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -86.45 -10.57 53.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 2.94 110.6 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.464 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 12.9 m0 -86.88 149.13 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.76 109.779 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.905 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 77.7 p -85.5 166.7 16.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.393 -0.367 . . . . 0.38 111.103 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 42' ' ' VAL . 5.0 mp -57.48 -44.15 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.639 . . . . 0.62 110.923 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.94 -34.26 71.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.086 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 21.2 tptm -70.78 -33.01 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 1.69 110.572 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.2 m -77.28 -38.98 49.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 0.94 110.391 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.91 15.37 24.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.745 -0.74 . . . . 0.35 112.704 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.02 128.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.777 0.323 . . . . 0.33 110.337 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -122.01 -168.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 2.37 110.518 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.06 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.394 0.516 . . . . 0.88 112.394 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.36 -8.22 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.923 0.392 . . . . 2.14 110.58 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -83.21 125.63 31.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.43 . . . . 0.48 110.753 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -68.89 109.67 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.197 -0.668 . . . . 1.92 109.197 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 61' ' ' LEU . 20.9 tp -119.08 137.58 53.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.35 110.625 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 17' ' ' ARG . 15.6 tp -117.62 151.92 36.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.756 -0.657 . . . . 0.39 109.527 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.659 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.8 t80 -124.9 111.57 15.61 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.561 -0.533 . . . . 0.4 109.561 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.753 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -141.17 140.13 20.46 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.44 -0.346 . . . . 0.6 110.699 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.94 126.17 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.537 2.158 . . . . 1.04 111.748 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.046 0.451 . . . . 1.46 110.214 179.214 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.622 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.4 p-90 . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 110.272 -0.27 . . . . 0.4 110.272 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.72 112.36 20.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.976 0.417 . . . . 2.4 110.459 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.4 tp -102.83 129.6 49.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.76 110.299 -178.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 120.08 49.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.21 0.529 . . . . 0.96 110.19 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.564 ' HB ' HD11 ' A' ' 46' ' ' LEU . 83.4 t -112.27 123.75 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.601 . . . . 0.31 110.014 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 89' ' ' LEU . 78.3 mtp180 -88.19 111.24 21.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.077 -0.511 . . . . 3.03 109.901 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.0 t -86.09 124.02 39.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.067 0.46 . . . . 0.46 110.946 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' HB2' HD11 ' A' ' 89' ' ' LEU . 23.7 t70 -96.55 101.21 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.89 109.406 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.63 -0.713 . . . . 0.99 109.626 -177.399 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.905 -0.406 . . . . 1.75 109.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -89.52 120.68 31.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 0.66 110.663 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.5 106.99 19.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.526 0.679 . . . . 2.34 109.516 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.505 HG22 ' HG ' ' A' ' 31' ' ' LEU . 41.1 mm -100.13 129.69 50.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.514 -0.766 . . . . 0.44 110.958 -175.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.4 m -102.19 109.96 21.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.009 -0.541 . . . . 0.51 109.842 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' HG22 ' A' ' 29' ' ' ILE . 79.9 mt -113.61 139.12 49.28 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.853 -0.612 . . . . 0.52 109.956 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -92.23 108.85 20.26 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.756 -0.831 . . . . 3.71 108.756 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.89 163.44 25.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.536 -0.756 . . . . 0.43 110.981 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 p -104.33 156.65 17.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.236 -0.438 . . . . 1.52 109.957 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.67 -27.26 72.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.282 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.79 10.1 22.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.094 0.473 . . . . 2.21 111.098 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.7 tp -82.52 131.04 35.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.623 -0.51 . . . . 0.3 109.623 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 46.4 p-80 -75.64 146.91 39.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.44 110.754 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.743 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 17.0 mm -53.77 -37.49 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.924 -0.58 . . . . 0.26 112.051 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -27.74 65.09 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.006 -0.616 . . . . 0.27 112.812 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.93 -37.48 38.54 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.929 -0.653 . . . . 0.37 111.498 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 77' ' ' LEU . 47.6 t -63.85 -44.23 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 110.013 -0.365 . . . . 0.31 110.013 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 47.5 ttm -52.54 -41.4 63.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.743 -0.662 . . . . 1.26 110.937 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 57.9 tp -68.88 -42.5 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 1.02 110.877 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.82 -33.4 75.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.22 112.043 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.7 mm? -59.71 -44.21 93.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.441 . . . . 0.96 110.168 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.31 -37.02 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.65 110.684 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 50.8 mt-10 -70.11 -46.6 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.209 -0.45 . . . . 2.36 111.368 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 29' ' ' ILE . 6.3 tp-100 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.468 -0.333 . . . . 1.34 111.198 -176.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 C--N 1.331 -0.2 0 N-CA-C 109.918 -0.401 . . . . 1.03 109.918 177.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' OH ' ' HD3' ' A' ' 92' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.644 -0.132 . . . . 4.26 110.644 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -174.19 174.26 2.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.043 0.449 . . . . 0.66 111.95 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.6 mm? -95.5 137.12 35.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.511 -0.768 . . . . 1.22 110.168 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.406 ' HZ2' HH11 ' A' ' 67' ' ' ARG . 57.7 t-105 -108.45 114.68 28.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.997 -0.547 . . . . 0.56 109.548 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -85.39 110.69 19.31 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.612 -0.884 . . . . 0.35 108.612 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.3 -55.14 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 2.31 111.626 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.15 -39.12 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.329 0.492 . . . . 1.69 112.329 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -87.71 -13.07 43.46 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.747 0.277 . . . . 1.1 111.747 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.406 HH11 ' HZ2' ' A' ' 62' ' ' TRP . 35.0 mmt180 54.37 64.99 1.63 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.138 0.494 . . . . 3.52 110.208 -174.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -144.96 145.89 31.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 1.59 110.988 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -98.43 122.69 41.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.57 109.11 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 mm? -77.79 101.19 6.59 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.185 -0.606 . . . . 0.61 109.381 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.0 -5.03 11.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.186 -0.915 . . . . 0.73 109.034 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -84.5 66.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.812 -1.086 . . . . 1.95 108.17 174.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.743 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 10.5 p -74.03 -14.25 60.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.235 -0.893 . . . . 0.64 111.98 -172.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -82.85 -21.4 34.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.972 0.415 . . . . 2.94 109.952 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.9 m0 -75.67 154.05 36.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.575 -0.739 . . . . 0.76 109.667 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.3 p -93.87 168.85 10.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.377 -0.374 . . . . 0.38 110.841 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 42' ' ' VAL . 5.7 mp -55.62 -49.92 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.62 110.964 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.09 -33.74 75.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.63 . . . . 1.49 110.619 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.7 tptt -66.84 -39.71 87.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 1.69 110.688 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.3 m -74.57 -34.58 62.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 0.94 110.712 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.15 2.22 35.92 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.741 -0.742 . . . . 0.35 112.913 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.55 128.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.977 0.418 . . . . 0.33 110.581 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 48.5 mt-30 -123.9 -172.98 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 2.37 110.657 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.3 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.64 0.607 . . . . 0.88 112.64 -171.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -97.85 6.93 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.886 0.374 . . . . 2.14 111.305 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.1 129.66 42.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.35 . . . . 0.48 110.588 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -70.22 100.64 1.72 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.875 -0.417 . . . . 1.92 109.875 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.2 tp -109.09 124.69 51.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.35 110.533 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 17' ' ' ARG . 32.2 tp -104.36 136.27 44.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.72 -0.673 . . . . 0.39 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 6.0 t80 -107.06 108.08 19.39 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.802 -0.814 . . . . 0.4 108.802 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.6 t -142.41 149.54 51.53 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.874 -0.417 . . . . 0.6 109.874 -174.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 36.0 Cg_endo -66.2 133.06 31.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.268 1.978 . . . . 1.04 111.722 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.701 0.763 . . . . 1.46 110.42 177.333 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.543 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 5.6 p-90 . . . . . 0 N--CA 1.446 -0.641 0 CA-C-O 120.709 0.29 . . . . 0.4 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -75.73 124.68 27.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 2.4 110.617 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.7 tp -120.01 121.73 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.962 -0.563 . . . . 0.76 110.137 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.72 119.57 38.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.275 0.56 . . . . 0.96 110.004 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 46' ' ' LEU . 44.4 t -115.1 127.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.675 -0.693 . . . . 0.31 109.377 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.678 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.9 mtt180 -93.59 111.7 23.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.345 -0.389 . . . . 3.03 110.101 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.43 115.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.654 -0.498 . . . . 0.46 109.654 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB2' HD11 ' A' ' 89' ' ' LEU . 11.7 t70 -95.85 100.78 12.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.165 -0.68 . . . . 0.89 109.165 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.798 -0.637 . . . . 0.99 109.585 -178.099 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.99 0.424 . . . . 1.75 110.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -78.69 120.77 23.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 0.66 109.951 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.678 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 50.8 mt-10 -97.31 106.16 18.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.671 -0.492 . . . . 2.34 109.671 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -107.74 126.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.682 -0.69 . . . . 0.44 110.617 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 m -91.38 114.05 26.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.51 109.35 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -108.49 145.48 34.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.12 -0.491 . . . . 0.52 110.581 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -91.79 108.08 19.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.074 -1.084 . . . . 3.71 108.074 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -131.29 166.02 29.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.933 -0.576 . . . . 0.43 111.105 -172.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -140.75 162.39 35.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.775 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.556 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -59.79 -25.12 61.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.821 -0.704 . . . . 0.49 112.702 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -76.65 -11.68 59.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.689 0.28 . . . . 2.21 111.384 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 77' ' ' LEU . 45.9 tp -80.86 135.51 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.824 -0.435 . . . . 0.3 109.824 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.749 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.3 p-80 -87.03 150.16 24.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.398 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.5 mm -52.43 -39.04 27.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 C-N-CA 123.014 0.526 . . . . 0.26 112.234 -176.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.34 -30.76 68.41 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.015 -0.612 . . . . 0.27 112.418 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.67 -29.42 52.29 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.917 -0.658 . . . . 0.37 111.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 77' ' ' LEU . 38.4 t -66.91 -48.06 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.355 . . . . 0.31 110.148 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 46' ' ' LEU . 56.7 mtm -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 1.26 110.435 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.83 -47.66 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.02 109.965 175.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.761 ' HA ' ' HG2' ' A' ' 48' ' ' GLU . 40.2 mttp -62.66 -33.78 75.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 1.22 111.346 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 43' ' ' MET . 45.4 mt -60.38 -49.27 78.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 0.96 110.775 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.78 -43.51 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.359 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.761 ' HG2' ' HA ' ' A' ' 45' ' ' LYS . 8.3 pt-20 -72.2 -30.48 64.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.184 -0.206 . . . . 2.36 111.43 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.02 -53.96 21.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.833 0.349 . . . . 1.34 110.48 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.03 110.083 179.068 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.748 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 34.0 p90 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.331 -0.248 . . . . 4.26 110.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.7 163.2 39.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.027 0.441 . . . . 0.66 110.827 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 88' ' ' LEU . 16.4 tp -90.13 133.2 35.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.988 -0.551 . . . . 1.22 109.997 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -117.36 112.81 21.22 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.604 -0.726 . . . . 0.56 110.378 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.552 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.5 t90 -83.15 109.0 16.8 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.842 -1.17 . . . . 0.35 107.842 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -75.71 -37.46 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.256 . . . . 2.31 110.43 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 15.7 mm-40 -56.21 -38.47 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 1.69 111.409 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.9 mmtt -102.37 -15.85 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 1.1 111.472 -176.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 57.99 76.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.047 -0.524 . . . . 3.52 110.393 -171.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 25.0 p -163.08 148.68 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.757 -0.656 . . . . 1.59 110.376 -175.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 83.3 m95 -96.37 139.27 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.245 -0.65 . . . . 0.57 109.245 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.1 mm? -95.89 103.57 15.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.551 -0.537 . . . . 0.61 109.551 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.56 -7.1 15.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.392 0.615 . . . . 0.73 109.994 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.696 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.86 72.55 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.906 0.86 . . . . 1.95 109.303 173.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 33.0 p -66.17 -22.25 66.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.64 111.968 -174.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -87.42 -5.88 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 2.94 110.961 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -84.25 144.76 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.723 -0.473 . . . . 0.76 109.723 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.749 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 72.9 p -89.76 166.26 13.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.431 -0.349 . . . . 0.38 110.902 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 42' ' ' VAL . 7.2 mp -60.74 -34.0 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.463 . . . . 0.62 110.496 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.3 -38.35 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.49 110.244 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -73.17 -36.88 66.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.665 . . . . 1.69 111.048 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HG12 ' A' ' 82' ' ' VAL . 67.4 m -79.8 -34.2 39.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.518 -0.31 . . . . 0.94 111.399 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.03 14.2 52.5 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 0.35 112.507 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.3 p -91.88 122.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.33 110.213 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.543 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 81.0 mt-30 -129.61 -162.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 2.37 111.317 -177.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -23.31 67.26 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 112.934 0.716 . . . . 0.88 112.934 -172.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.58 1.94 56.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.928 0.394 . . . . 2.14 111.709 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.44 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . -81.84 109.92 16.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.328 -0.396 . . . . 0.48 110.528 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.66 106.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.538 -0.912 . . . . 1.92 108.538 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 61' ' ' LEU . 13.9 tp -115.48 123.15 47.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.35 110.985 -169.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 19' ' ' ASP . 24.4 tp -112.33 140.04 47.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.779 . . . . 0.39 109.336 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -116.73 110.07 17.96 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.121 -0.696 . . . . 0.4 109.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -141.97 151.29 58.87 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.23 -0.441 . . . . 0.6 111.401 -171.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.748 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 9.4 Cg_endo -54.84 136.65 72.88 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.43 2.087 . . . . 1.04 110.476 169.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.406 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 10.0 pt20 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.562 -0.29 . . . . 1.46 111.509 -172.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.548 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.9 p-90 . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 109.73 -0.47 . . . . 0.4 109.73 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.51 127.2 40.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.434 0.635 . . . . 2.4 110.849 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 54.6 tp -117.93 115.37 24.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.321 -0.854 . . . . 0.76 109.576 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.7 p -84.4 119.31 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.528 0.68 . . . . 0.96 109.755 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.92 115.89 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.515 -0.766 . . . . 0.31 109.38 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.624 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 80.6 mtp180 -83.58 110.03 17.9 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.82 -0.808 . . . . 3.03 108.82 177.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -87.99 117.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.025 0.441 . . . . 0.46 109.98 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.747 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 18.6 t70 -96.42 113.1 24.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.655 -0.702 . . . . 0.89 109.325 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 . . . . . 0 C--N 1.319 -0.731 0 CA-C-N 115.805 -0.634 . . . . 0.99 110.164 -175.743 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.844 0.354 . . . . 1.75 110.601 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -118.33 125.62 50.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.08 -0.509 . . . . 0.66 110.657 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.624 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 51.5 mt-10 -98.76 104.98 17.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.868 0.366 . . . . 2.34 110.086 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -109.6 124.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.44 110.214 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 9.4 m -97.35 103.82 15.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.744 -0.465 . . . . 0.51 109.744 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 46' ' ' LEU . 93.9 mt -93.12 136.43 33.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.017 -0.538 . . . . 0.52 110.907 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -92.54 106.32 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.597 -1.26 . . . . 3.71 107.597 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -131.47 156.11 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.238 0.542 . . . . 0.43 112.275 -167.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 m -96.67 147.18 24.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.364 -0.834 . . . . 1.52 109.058 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.44 -21.48 64.6 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.621 -0.799 . . . . 0.49 112.201 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.2 4.32 23.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.063 0.458 . . . . 2.21 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 77' ' ' LEU . 58.4 tp -86.98 135.31 33.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.141 -0.349 . . . . 0.3 110.157 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.968 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -80.85 152.21 28.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.679 -0.237 . . . . 0.44 111.012 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.809 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.6 mm -55.25 -43.62 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.905 -0.589 . . . . 0.26 112.214 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.1 66.18 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.27 112.268 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.59 -31.61 44.67 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.08 -0.808 . . . . 0.37 111.08 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 77' ' ' LEU . 88.1 t -65.74 -44.9 93.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 0.31 109.357 172.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 71.8 mtp -56.02 -42.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.495 -0.775 . . . . 1.26 110.87 176.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.29 -39.78 84.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.499 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.31 -34.69 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 1.22 111.195 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 31' ' ' LEU . 1.8 mm? -63.05 -47.27 83.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.983 0.421 . . . . 0.96 110.143 175.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 43' ' ' MET . 51.9 t -61.8 -47.21 94.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.94 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.19 -27.06 63.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.477 -0.328 . . . . 2.36 111.778 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.56 -54.21 9.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 1.34 110.778 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 1.03 110.853 -177.595 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.153 -1.055 . . . . 4.26 108.153 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.68 168.19 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.592 -0.443 . . . . 0.66 111.798 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.648 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.1 mm? -86.99 132.51 33.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.749 . . . . 1.22 110.302 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -101.91 115.0 29.58 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.67 -0.695 . . . . 0.56 109.326 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 3.7 t90 -88.94 109.92 20.66 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.6 -0.889 . . . . 0.35 108.6 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -67.84 -50.72 55.11 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.877 0.325 . . . . 2.31 111.877 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.48 -38.83 78.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.215 0.45 . . . . 1.69 112.215 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 63' ' ' TRP . 5.3 mptp? -91.01 -20.65 21.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.709 0.263 . . . . 1.1 111.709 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 56.9 71.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.674 0.609 . . . . 3.52 109.936 -171.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -156.49 147.05 21.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.493 -0.776 . . . . 1.59 109.96 -175.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -98.68 130.67 45.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.617 -0.512 . . . . 0.57 109.617 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.9 mm? -82.14 102.39 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.067 0.461 . . . . 0.61 110.119 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD21 ' OE1' ' A' ' 93' ' ' GLN . 76.9 mt -111.98 -11.53 13.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.692 -0.855 . . . . 0.73 108.692 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -78.86 57.25 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.572 -1.194 . . . . 1.95 108.822 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.809 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 9.8 p -70.72 -20.27 62.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 0.64 111.798 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 2.94 109.874 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 11.8 m0 -80.99 152.69 27.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 0.76 109.596 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.968 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.2 p -92.83 168.11 11.4 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.714 -0.221 . . . . 0.38 111.147 -177.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 42' ' ' VAL . 3.9 mp -54.77 -50.99 67.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.008 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.83 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.968 -0.56 . . . . 1.49 110.722 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 22.0 tptm -67.84 -39.67 83.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.69 110.819 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.06 -29.99 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.861 0.362 . . . . 0.94 110.845 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.54 17.69 27.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.279 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' ALA . 1.8 p -104.05 125.09 58.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.539 . . . . 0.33 110.329 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 27.3 mt-30 -128.57 -165.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 2.37 110.232 -176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.38 67.86 1.05 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.547 0.689 . . . . 0.88 110.248 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -158.7 -36.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 2.14 109.977 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -76.31 150.52 36.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.48 112.005 -174.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -97.96 104.36 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.316 -0.994 . . . . 1.92 108.316 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.648 ' HG ' HD12 ' A' ' 61' ' ' LEU . 6.5 tp -105.11 115.69 30.69 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.719 -0.673 . . . . 0.35 110.654 -171.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 19' ' ' ASP . 20.4 tp -101.89 129.48 48.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.57 -0.741 . . . . 0.39 109.623 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 43' ' ' MET . 4.3 t80 -102.96 106.09 16.56 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.74 -0.837 . . . . 0.4 108.74 178.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.75 151.59 53.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.6 110.677 -172.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 37.1 Cg_endo -66.94 129.38 20.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.397 2.065 . . . . 1.04 111.922 176.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.416 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 pt20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 1.46 111.3 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.604 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.1 p-90 . . . . . 0 N--CA 1.444 -0.746 0 N-CA-C 110.325 -0.25 . . . . 0.4 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 8.1 pt-20 -96.23 127.24 42.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 2.4 110.944 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -112.86 134.63 54.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.269 -0.878 . . . . 0.76 110.078 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 5.9 p -97.95 120.6 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.195 0.521 . . . . 0.96 110.318 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.6 t -114.66 128.84 71.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.024 -0.534 . . . . 0.31 110.204 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 1.012 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 91.0 mtt180 -90.77 119.03 30.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 3.03 109.882 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 90' ' ' PHE . 39.7 t -102.93 124.68 57.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.704 0.288 . . . . 0.46 111.129 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -97.65 132.05 43.65 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.545 -0.909 . . . . 0.89 108.545 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 120.864 0.364 . . . . 0.99 111.742 -171.15 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.735 0.302 . . . . 1.75 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -78.45 111.33 14.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.23 -0.655 . . . . 0.66 109.23 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 1.012 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.7 mt-10 -99.33 102.1 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.453 0.644 . . . . 2.34 110.473 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 49' ' ' GLN . 39.3 mm -96.29 140.31 17.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.026 -0.988 . . . . 0.44 111.241 -174.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -103.38 108.41 19.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 0.51 109.787 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' GLU . 94.3 mt -108.46 138.36 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.811 0.339 . . . . 0.52 111.192 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 5.5 tpp180 -92.72 110.52 21.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.973 -0.751 . . . . 3.71 108.973 175.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.63 164.29 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.709 -0.678 . . . . 0.43 111.327 -171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 p -115.42 159.29 21.32 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.208 -0.664 . . . . 1.52 109.208 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.27 -25.92 68.86 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.751 -0.738 . . . . 0.49 112.928 -177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.09 7.31 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.68 0.276 . . . . 2.21 111.598 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.8 tp -83.99 123.49 30.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.649 -0.5 . . . . 0.3 109.649 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.89 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 34.3 p-80 -78.32 151.73 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.441 -0.345 . . . . 0.44 110.798 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 70' ' ' LEU . 26.5 mm -50.3 -40.73 18.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.528 -0.76 . . . . 0.26 113.027 -173.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.44 -36.07 75.25 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.058 -0.592 . . . . 0.27 113.056 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.84 -29.91 60.36 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.734 -0.746 . . . . 0.37 111.865 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 77' ' ' LEU . 40.3 t -66.58 -47.12 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.609 0.243 . . . . 0.31 110.492 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.14 -36.82 78.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.26 110.552 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.08 -38.66 86.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.913 -0.585 . . . . 1.02 110.427 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.22 111.489 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.9 mm? -58.94 -52.56 65.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.96 110.084 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.29 -42.66 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.65 110.538 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.54 -49.48 77.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.606 -0.725 . . . . 2.36 111.236 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 tp-100 -67.98 -43.73 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 1.34 111.375 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 C--N 1.327 -0.406 0 C-N-CA 120.994 -0.282 . . . . 1.03 111.553 -176.611 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 52.4 p90 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.626 0.25 . . . . 4.26 110.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 155.17 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.66 110.626 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 88' ' ' LEU . 13.8 tp -92.13 135.93 33.59 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.836 -0.431 . . . . 1.22 109.836 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.502 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 38.6 t-105 -122.88 121.11 35.41 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.02 -0.536 . . . . 0.56 110.387 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.5 t90 -89.38 109.03 19.98 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.379 -0.971 . . . . 0.35 108.379 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.71 -35.33 78.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 2.31 111.072 -172.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.86 -5.71 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.911 -0.586 . . . . 1.69 111.495 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -125.7 -8.18 6.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.559 -0.291 . . . . 1.1 111.154 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 14.1 mtp180 49.36 54.87 10.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.432 0.634 . . . . 3.52 110.606 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -137.27 148.18 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 1.59 110.872 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -95.83 121.98 38.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.217 -1.031 . . . . 0.57 108.217 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 39' ' ' ILE . 60.9 mt -82.06 102.25 10.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.926 -0.768 . . . . 0.61 108.926 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.62 -1.12 9.06 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.376 -0.829 . . . . 0.73 109.686 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -79.5 74.12 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.452 -0.794 . . . . 1.95 108.869 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 p -68.58 -12.74 61.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.363 -0.835 . . . . 0.64 111.881 -174.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -84.39 -7.77 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 2.94 109.982 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -95.87 145.85 25.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 0.76 109.902 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.89 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.1 p -96.67 174.5 6.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.328 -0.396 . . . . 0.38 110.807 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 42' ' ' VAL . 4.7 mp -55.56 -51.29 67.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.62 110.565 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.83 -37.32 86.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 1.49 110.755 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -67.5 -40.1 85.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.743 -0.662 . . . . 1.69 111.023 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -76.41 -37.69 56.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.425 -0.352 . . . . 0.94 110.96 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.41 -2.25 29.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.658 -0.782 . . . . 0.35 112.485 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -77.95 114.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.192 0.52 . . . . 0.33 110.108 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -113.43 -169.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.7 -0.682 . . . . 2.37 110.975 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.91 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.107 0.78 . . . . 0.88 113.107 -170.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -97.36 5.48 49.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.358 . . . . 2.14 111.189 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 129.83 34.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.559 -0.291 . . . . 0.48 110.681 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -78.54 122.09 25.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.744 -0.465 . . . . 1.92 109.744 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 61' ' ' LEU . 21.1 tp -124.15 144.25 50.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.759 -171.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 17' ' ' ARG . 24.9 tp -122.27 146.0 47.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.39 109.952 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' HB3' HG22 ' A' ' 18' ' ' VAL . 18.7 t80 -123.83 110.9 15.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.251 -0.648 . . . . 0.4 109.251 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 t -142.33 148.33 47.16 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.543 . . . . 0.6 111.196 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.6 144.34 97.53 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.147 1.898 . . . . 1.04 110.743 170.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 121.022 0.439 . . . . 1.46 110.454 -176.738 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.646 ' CH2' HD23 ' A' ' 77' ' ' LEU . 2.2 p-90 . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 120.709 0.29 . . . . 0.4 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -84.73 108.61 17.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.148 0.499 . . . . 2.4 110.978 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 54.7 tp -101.99 111.12 23.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.505 -0.771 . . . . 0.76 109.471 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 4.6 p -87.49 119.8 35.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.375 0.607 . . . . 0.96 110.102 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.7 t -112.76 124.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.141 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.96 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.6 mtt180 -84.09 111.65 19.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 3.03 110.092 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -87.04 124.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.481 -0.327 . . . . 0.46 110.565 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.825 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.9 t70 -96.92 119.6 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.762 -0.829 . . . . 0.89 108.762 175.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 116.201 -0.454 . . . . 0.99 111.48 -173.485 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.904 0.383 . . . . 1.75 111.111 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 m -101.63 119.36 38.66 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.498 -0.556 . . . . 0.66 109.498 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.96 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 47.8 mt-10 -97.67 101.65 13.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.235 0.541 . . . . 2.34 110.145 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.8 122.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.496 -0.774 . . . . 0.44 110.212 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 11.9 m -97.02 103.68 15.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.1 0.476 . . . . 0.51 110.191 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.86 139.75 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.52 110.064 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -92.54 109.59 21.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.657 -0.868 . . . . 3.71 108.657 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 m -124.89 164.6 23.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.837 -0.62 . . . . 0.43 111.394 -170.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -111.04 159.43 17.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.52 110.362 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.22 72.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.842 -0.694 . . . . 0.49 112.741 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -91.02 14.72 13.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 2.21 111.769 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 77' ' ' LEU . 50.2 tp -89.88 124.29 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.499 -0.556 . . . . 0.3 109.499 174.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.896 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.8 p-80 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.691 -0.232 . . . . 0.44 111.015 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.7 mm -51.24 -41.94 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.678 -0.692 . . . . 0.26 112.715 -173.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.42 78.51 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.818 -0.706 . . . . 0.27 112.617 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.69 -6.25 88.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.984 -0.626 . . . . 0.37 111.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 77' ' ' LEU . 60.3 t -90.24 -50.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.565 ' HA ' HD23 ' A' ' 46' ' ' LEU . 45.9 mtm -59.84 -34.84 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.963 -0.562 . . . . 1.26 110.659 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 1.02 109.984 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.37 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.371 . . . . 1.22 111.261 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 43' ' ' MET . 3.4 mm? -60.25 -52.33 65.73 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.922 0.391 . . . . 0.96 110.082 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.41 -39.86 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.65 110.635 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.45 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 2.36 110.999 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.8 -49.72 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.34 111.365 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 67.1 mtm . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.325 . . . . 1.03 111.52 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 42.4 p90 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.858 -0.423 . . . . 4.26 109.858 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB3' ' HE3' ' A' ' 69' ' ' TRP . . . -156.51 165.25 36.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 0.66 110.86 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 88' ' ' LEU . 10.5 tp -89.24 136.0 33.26 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.705 -0.679 . . . . 1.22 109.266 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 55.9 t-105 -113.08 112.4 23.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.024 0.44 . . . . 0.56 110.385 -177.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -82.58 109.5 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.228 -1.027 . . . . 0.35 108.228 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.94 -37.02 81.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.035 0.445 . . . . 2.31 111.393 -172.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.75 -32.51 73.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.051 -0.522 . . . . 1.69 111.317 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.13 -15.65 19.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 1.1 111.142 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.71 65.14 1.6 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.108 -0.701 . . . . 3.52 109.108 -172.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t -148.04 147.46 29.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 1.59 110.731 -170.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.469 ' HE3' ' HB3' ' A' ' 60' ' ' ALA . 90.4 m95 -97.58 122.77 41.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.1 mm? -74.76 104.05 5.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.61 109.927 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.94 -9.45 15.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.472 -0.785 . . . . 0.73 108.94 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD2' ' CE3' ' A' ' 75' ' ' TRP . 50.9 mtmt -78.85 62.49 3.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.902 -1.045 . . . . 1.95 109.309 172.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 40.6 p -69.51 -24.52 63.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.64 111.305 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -79.94 -13.74 59.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.416 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 13.4 m0 -86.8 149.94 24.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.559 -0.534 . . . . 0.76 109.559 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.896 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.6 p -88.94 170.76 10.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.453 -0.339 . . . . 0.38 111.147 -176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 42' ' ' VAL . 3.6 mp -56.48 -46.51 80.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.62 110.801 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.13 -32.34 68.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.737 -0.665 . . . . 1.49 110.646 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.497 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 57.4 tptt -69.54 -35.16 75.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 1.69 110.646 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.66 -23.79 36.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.94 110.503 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.74 18.37 51.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.069 -0.586 . . . . 0.35 112.459 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.85 109.1 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 0.33 110.774 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -99.87 -170.09 1.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.282 -0.872 . . . . 2.37 110.213 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.45 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -74.09 -4.37 35.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.88 111.163 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.79 -14.63 44.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 2.14 110.576 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.52 135.65 34.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.843 -0.617 . . . . 0.48 111.896 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.51 109.48 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.91 -0.774 . . . . 1.92 108.91 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 61' ' ' LEU . 14.8 tp -118.17 129.91 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.176 0.513 . . . . 0.35 110.996 -173.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 17' ' ' ARG . 9.0 tp -114.9 152.99 31.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.324 -0.853 . . . . 0.39 108.898 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -129.83 111.47 12.63 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.642 -0.503 . . . . 0.4 109.642 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.825 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 4.6 t -140.86 143.28 31.2 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.394 -0.366 . . . . 0.6 110.456 -174.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.683 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 26.1 Cg_exo -62.84 132.58 37.86 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.262 1.974 . . . . 1.04 111.356 175.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.223 0.535 . . . . 1.46 109.937 179.854 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.511 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.787 0.327 . . . . 0.4 111.591 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -90.22 115.22 27.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 2.4 110.223 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.06 108.68 17.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.76 110.305 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.16 118.97 34.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.077 0.465 . . . . 0.96 109.857 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.2 t -114.95 127.32 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.863 -0.608 . . . . 0.31 109.692 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.778 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 93.5 mtt180 -88.46 110.61 20.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.801 0.334 . . . . 3.03 110.507 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 46.6 t -93.09 113.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.46 110.398 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.781 ' HB2' ' HG3' ' A' ' 26' ' ' GLN . 27.7 t70 -101.12 128.71 47.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.924 0.393 . . . . 0.89 110.078 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 . . . . . 0 C--N 1.321 -0.664 0 N-CA-C 108.517 -0.92 . . . . 0.99 108.517 176.588 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.781 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 1.2 mp0 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.253 0.549 . . . . 1.75 112.358 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -78.65 132.74 37.17 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.251 -0.648 . . . . 0.66 109.251 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 37.7 mt-10 -97.88 104.85 16.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.328 0.585 . . . . 2.34 110.523 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -101.53 121.03 51.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.347 -0.842 . . . . 0.44 110.437 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -93.84 104.03 16.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 0.51 109.979 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.2 mt -95.38 144.67 25.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.716 -0.674 . . . . 0.52 111.156 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -92.35 108.33 19.88 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.746 -1.205 . . . . 3.71 107.746 170.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.0 m -129.51 160.39 40.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.048 -0.523 . . . . 0.43 110.724 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.4 m -125.37 162.02 25.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.223 -0.444 . . . . 1.52 110.675 -176.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -65.83 -29.36 74.9 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.922 -0.656 . . . . 0.49 112.032 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.31 0.9 47.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.955 0.407 . . . . 2.21 110.91 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.5 tp -84.86 130.66 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.3 109.941 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.74 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.7 p-80 -84.17 148.7 26.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.44 110.825 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' A' ' 70' ' ' LEU . 15.7 mm -53.78 -37.12 31.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.096 0.559 . . . . 0.26 112.283 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.95 -26.79 61.26 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.196 -0.526 . . . . 0.27 112.56 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -82.76 -31.47 29.55 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.37 111.74 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 77' ' ' LEU . 68.0 t -67.65 -51.3 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.337 0.113 . . . . 0.31 111.029 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.621 ' HA ' HD23 ' A' ' 46' ' ' LEU . 43.6 mtm -62.37 -30.87 71.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.958 0.409 . . . . 1.26 110.731 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 tp -70.73 -30.86 67.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 1.02 110.489 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 68.3 mttm -66.7 -29.16 69.09 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.3 -0.409 . . . . 1.22 111.296 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 43' ' ' MET . 2.7 mm? -60.66 -53.21 60.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.96 110.0 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.68 -34.86 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.4 0.619 . . . . 0.65 110.05 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 37.2 tt0 -66.4 -32.37 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.011 -0.995 . . . . 2.36 111.519 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 12.2 mm100 -72.05 -54.47 9.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.114 0.413 . . . . 1.34 112.114 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.644 -0.422 . . . . 1.03 110.906 -177.656 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.9 p90 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.042 -0.355 . . . . 4.26 110.042 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.48 162.72 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.66 110.464 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 14.7 tp -99.27 139.08 35.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.029 -0.532 . . . . 1.22 110.251 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -121.14 118.01 28.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.56 110.678 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 65' ' ' GLN . 7.7 t90 -95.67 110.2 22.35 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.985 -0.746 . . . . 0.35 108.985 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.24 -22.69 61.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.87 0.693 . . . . 2.31 112.87 -170.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 97.7 mt-30 -87.13 11.53 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.274 0.559 . . . . 1.69 111.214 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -142.39 -32.7 0.49 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.449 -0.796 . . . . 1.1 109.188 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 61.96 83.78 0.15 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.509 -1.223 . . . . 3.52 110.532 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 p -169.65 150.62 4.09 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 113.543 -1.662 . . . . 1.59 108.76 -171.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.81 122.12 37.1 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.923 -0.769 . . . . 0.57 108.923 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -69.82 102.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.197 0.522 . . . . 0.61 109.77 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -113.7 3.05 15.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.506 -0.77 . . . . 0.73 109.035 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 2.5 mptp? -82.17 61.22 5.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.678 -1.146 . . . . 1.95 108.645 174.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.489 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 6.1 p -66.28 -28.04 68.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.578 -0.737 . . . . 0.64 112.26 -172.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -86.01 -13.16 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 2.94 110.596 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 11.1 m0 -78.86 146.58 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.924 -0.398 . . . . 0.76 109.924 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.74 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.0 p -88.02 163.37 16.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.38 110.843 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -57.36 -41.53 80.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.62 110.999 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.92 -31.08 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.491 -0.777 . . . . 1.49 110.632 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.86 -36.3 56.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 1.69 110.492 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.74 -43.83 65.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.94 110.586 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.35 8.95 37.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.35 112.808 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.42 128.92 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.042 -0.355 . . . . 0.33 110.042 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.1 178.25 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.522 . . . . 2.37 111.35 -175.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -67.19 -31.58 72.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.88 111.379 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.22 0.09 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 2.14 111.173 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.7 122.02 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.401 -0.363 . . . . 0.48 110.862 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.87 116.23 4.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.379 -0.373 . . . . 1.92 110.104 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 12.1 tp -120.36 119.08 32.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.35 110.364 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.35 138.13 45.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.39 109.911 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 11.8 t80 -114.5 108.69 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.827 -0.805 . . . . 0.4 108.827 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 t -142.51 150.85 55.9 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.873 -0.603 . . . . 0.6 110.292 -173.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.52 147.0 81.24 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.422 2.081 . . . . 1.04 112.113 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.942 -0.572 . . . . 1.46 109.858 -178.199 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.605 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.3 p-90 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.094 -0.336 . . . . 0.4 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.2 109.77 21.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.587 0.708 . . . . 2.4 111.081 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.718 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -100.64 113.72 26.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.217 -1.031 . . . . 0.76 108.217 175.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 3.7 p -81.85 115.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.644 -0.873 . . . . 0.96 108.644 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.718 HG22 HD12 ' A' ' 14' ' ' LEU . 41.4 t -107.07 116.87 51.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.68 -0.691 . . . . 0.31 109.282 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 80.3 mtp180 -85.24 111.66 20.04 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.473 -0.566 . . . . 3.03 109.473 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 48.5 t -85.85 115.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.795 -0.639 . . . . 0.46 110.263 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 15.9 t70 -95.93 104.75 16.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.135 -0.691 . . . . 0.89 109.135 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 . . . . . 0 C--N 1.32 -0.683 0 N-CA-C 108.453 -0.943 . . . . 0.99 108.453 178.284 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.601 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 69.9 mt-30 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.968 -0.382 . . . . 1.75 109.968 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -104.1 139.17 39.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.973 -0.558 . . . . 0.66 109.983 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 4.8 mp0 -96.66 103.09 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.34 110.176 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 49' ' ' GLN . 49.3 mm -106.18 104.92 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.598 -0.728 . . . . 0.44 109.978 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.3 m -87.56 103.69 15.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.014 0.435 . . . . 0.51 110.122 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.0 mt -97.56 137.53 36.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.962 -0.563 . . . . 0.52 111.072 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 42.9 ttm180 -92.58 108.27 19.85 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.271 -1.011 . . . . 3.71 108.271 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.94 147.38 31.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.779 -0.646 . . . . 0.43 111.85 -169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.9 m -90.16 159.83 16.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.506 -0.77 . . . . 1.52 110.538 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.06 -25.92 70.04 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.591 -0.814 . . . . 0.49 111.527 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.5 -1.1 49.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.211 0.529 . . . . 2.21 110.666 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' O ' HD13 ' A' ' 77' ' ' LEU . 49.4 tp -79.65 132.18 36.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.691 -0.485 . . . . 0.3 109.691 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.783 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -78.49 147.41 33.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.339 -0.392 . . . . 0.44 110.698 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' A' ' 70' ' ' LEU . 13.5 mm -51.92 -43.77 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 123.063 0.545 . . . . 0.26 112.042 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.479 ' HA2' ' SD ' ' A' ' 43' ' ' MET . . . -57.98 -28.14 60.52 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 121.066 -0.587 . . . . 0.27 112.768 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -42.33 58.61 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.143 -0.783 . . . . 0.37 111.143 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 77' ' ' LEU . 57.8 t -62.83 -43.5 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.978 -0.378 . . . . 0.31 109.978 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.479 ' SD ' ' HA2' ' A' ' 40' ' ' GLY . 76.2 mtp -52.94 -43.44 66.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.57 -0.741 . . . . 1.26 111.012 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.05 -36.16 66.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.729 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 66.0 mttm -68.65 -21.39 64.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.588 0.588 . . . . 1.22 112.588 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -61.62 -47.66 84.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.386 -0.526 . . . . 0.96 109.86 171.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.12 -33.89 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.013 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.731 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 31.0 tt0 -59.27 -50.11 75.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.92 -0.582 . . . . 2.36 110.757 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 29' ' ' ILE . 8.4 tp-100 -72.45 -52.86 14.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.714 -0.676 . . . . 1.34 111.663 -176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.523 ' HE1' HG11 ' A' ' 18' ' ' VAL . 7.0 ttp . . . . . 0 C--N 1.33 -0.247 0 N-CA-C 109.612 -0.514 . . . . 1.03 109.612 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 35.5 p90 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.181 -0.303 . . . . 4.26 110.181 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.51 171.49 18.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.498 -0.319 . . . . 0.66 110.603 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.821 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.2 mm? -92.8 134.08 35.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.096 0.474 . . . . 1.22 110.99 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -105.53 112.27 25.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.474 -0.785 . . . . 0.56 109.608 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.42 ' HB2' HD21 ' A' ' 70' ' ' LEU . 5.3 t90 -91.82 109.04 20.36 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.671 -0.863 . . . . 0.35 108.671 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.68 -32.91 73.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 2.31 111.062 -173.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -72.98 -9.65 58.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.975 -0.557 . . . . 1.69 111.623 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.81 -12.29 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.648 -0.251 . . . . 1.1 111.363 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 56.83 38.39 29.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.07 0.462 . . . . 3.52 110.476 -174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 t -132.3 148.76 52.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.93 -0.577 . . . . 1.59 110.423 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.452 ' HH2' HG23 ' A' ' 91' ' ' THR . 91.4 m95 -96.01 130.19 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.57 109.665 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.9 mm? -75.55 102.74 5.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.154 0.502 . . . . 0.61 110.076 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.34 9.31 13.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 0.73 109.119 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 3.1 mptp? -80.55 69.96 7.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.86 -1.064 . . . . 1.95 109.045 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -68.34 -26.56 65.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.716 -0.675 . . . . 0.64 111.801 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -85.14 -28.65 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.94 110.095 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.723 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 12.1 m95 -71.36 143.54 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.174 0.512 . . . . 0.76 110.855 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 22.2 p -87.85 162.21 17.09 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.822 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.605 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.7 mp -56.41 -48.24 77.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.465 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.03 -31.57 71.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.507 . . . . 1.49 111.056 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 50.3 tttp -74.71 -38.81 62.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 1.69 110.466 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.2 t -64.11 -43.45 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.94 110.511 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.0 -9.5 18.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.638 -0.791 . . . . 0.35 112.578 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.11 112.7 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.446 0.641 . . . . 0.33 110.852 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -105.07 -173.61 2.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.568 -0.742 . . . . 2.37 110.41 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -68.87 -14.51 63.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.88 111.679 -175.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.33 11.12 24.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 2.14 111.588 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.67 149.5 28.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.513 0.197 . . . . 0.48 111.062 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -84.77 117.69 23.99 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.823 -0.436 . . . . 1.92 109.823 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.2 tp -123.84 117.53 25.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 0.35 110.544 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 17' ' ' ARG . 23.8 tp -104.6 134.92 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.723 -0.671 . . . . 0.39 109.602 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 63.7 t80 -109.6 108.03 18.31 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.355 -0.538 . . . . 0.4 110.019 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.617 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.4 t -144.13 151.66 52.58 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.501 -0.555 . . . . 0.6 109.501 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.27 141.95 47.93 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.426 2.084 . . . . 1.04 111.889 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 1.46 110.104 -176.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.478 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.965 -0.383 . . . . 0.4 109.965 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -85.65 107.53 17.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.055 0.455 . . . . 2.4 110.809 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 84' ' ' ALA . 60.4 tp -103.34 122.61 45.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.76 110.233 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.4 p -93.44 119.41 41.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.356 0.598 . . . . 0.96 110.106 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 46' ' ' LEU . 42.5 t -114.72 125.38 72.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.955 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 89' ' ' LEU . 98.4 mtt180 -84.23 122.16 28.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.167 -0.469 . . . . 3.03 109.962 177.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG21 ' HE1' ' A' ' 50' ' ' MET . 46.3 t -92.58 123.86 44.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 116.341 -0.391 . . . . 0.46 110.377 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.861 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.3 t70 -95.96 113.92 25.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.522 -0.548 . . . . 0.89 109.522 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.561 -0.745 . . . . 0.99 110.279 -174.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.702 -0.481 . . . . 1.75 109.702 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -78.12 136.49 37.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.66 110.672 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -98.84 105.95 18.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.774 0.797 . . . . 2.34 110.272 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 49' ' ' GLN . 45.3 mm -100.6 116.53 44.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.484 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 21.9 m -96.02 104.11 16.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.286 0.565 . . . . 0.51 109.803 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HG ' HG22 ' A' ' 29' ' ' ILE . 95.7 mt -104.17 141.91 35.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.487 -0.779 . . . . 0.52 110.516 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -91.48 108.63 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.338 -0.986 . . . . 3.71 108.338 173.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.0 148.52 30.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.43 111.248 -172.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 m -89.71 148.38 23.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.876 -0.602 . . . . 1.52 110.035 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.36 -31.55 77.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.656 -0.783 . . . . 0.49 111.788 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.21 2.4 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.507 . . . . 2.21 111.077 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.6 tp -78.79 131.63 36.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.684 -0.487 . . . . 0.3 109.684 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.8 p-80 -78.15 147.31 34.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.44 110.748 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 70' ' ' LEU . 17.5 mm -51.68 -42.44 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.26 112.436 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.44 -24.87 56.99 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.176 -0.535 . . . . 0.27 112.966 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 -37.02 20.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.928 -0.653 . . . . 0.37 111.601 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 77' ' ' LEU . 41.1 t -64.8 -43.41 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.81 -0.441 . . . . 0.31 109.81 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 67.2 mtp -54.08 -38.93 65.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.445 -0.798 . . . . 1.26 111.166 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 60.2 tp -72.55 -39.62 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.043 -0.526 . . . . 1.02 110.743 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 63.9 mttm -62.99 -27.67 69.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.15 -0.477 . . . . 1.22 111.908 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -62.12 -46.9 86.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.96 110.998 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.18 -49.72 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.511 . . . . 0.65 111.299 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 45' ' ' LYS . 7.8 pt-20 -67.12 -26.05 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 2.36 112.212 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 29' ' ' ILE . 6.9 tp-100 -69.98 -32.61 70.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 1.34 110.912 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.435 ' HE1' HG21 ' A' ' 18' ' ' VAL . 61.6 mtm . . . . . 0 C--N 1.326 -0.426 0 C-N-CA 120.969 -0.292 . . . . 1.03 110.992 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 48.6 p90 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.233 -0.284 . . . . 4.26 110.233 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.99 169.2 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.66 110.64 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -108.24 138.41 44.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.414 -0.357 . . . . 1.22 110.099 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -123.05 126.14 46.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.879 -0.6 . . . . 0.56 110.282 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.47 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.3 t90 -95.66 110.05 22.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.662 -0.866 . . . . 0.35 108.662 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.14 -35.97 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 2.31 111.17 -173.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.41 -26.68 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 1.69 111.951 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.0 mmtt -115.09 -6.67 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.055 0.391 . . . . 1.1 112.055 -174.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 60.6 42.41 14.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.227 0.329 . . . . 3.52 111.068 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.3 p -130.5 148.89 52.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.935 0.398 . . . . 1.59 111.742 -174.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -95.87 123.87 39.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.051 -1.092 . . . . 0.57 108.051 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.7 mm? -73.02 103.35 3.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.762 -0.458 . . . . 0.61 109.762 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -108.56 5.86 25.46 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.836 -0.801 . . . . 0.73 108.836 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 37.4 mttm -83.21 57.76 4.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 1.95 108.821 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -62.62 -30.17 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 0.64 112.318 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -85.74 -21.44 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 2.94 110.413 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.2 m0 -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.038 -0.528 . . . . 0.76 110.342 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.6 p -96.26 168.9 10.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.876 -0.602 . . . . 0.38 111.031 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.676 HD11 HG21 ' A' ' 42' ' ' VAL . 5.2 mp -60.24 -43.77 95.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.62 111.579 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.0 -43.07 83.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 1.49 110.644 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 59.1 tptt -60.54 -38.15 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.228 -0.896 . . . . 1.69 111.376 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -73.51 -37.94 65.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.94 110.635 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.7 24.37 13.72 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.592 -0.813 . . . . 0.35 112.633 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -101.28 118.81 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.086 0.469 . . . . 0.33 110.394 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.03 -175.68 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 2.37 111.435 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -79.88 -13.99 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.88 112.183 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.77 -1.74 52.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.807 0.337 . . . . 2.14 110.76 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.76 131.16 36.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.986 -0.552 . . . . 0.48 110.586 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -71.82 97.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 1.92 109.818 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 61' ' ' LEU . 14.4 tp -100.98 135.99 41.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.352 -0.84 . . . . 0.35 109.638 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 17' ' ' ARG . 29.3 tp -118.28 132.61 56.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.5 -0.318 . . . . 0.39 110.332 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.2 t80 -111.77 111.36 22.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.779 -0.452 . . . . 0.4 109.779 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.861 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.2 t -141.51 143.07 28.35 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.004 -0.544 . . . . 0.6 110.004 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.578 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 22.4 Cg_exo -64.68 134.12 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.949 1.766 . . . . 1.04 110.955 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.58 0.705 . . . . 1.46 111.266 -176.009 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 14' ' ' LEU . 13.9 p-90 . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.246 -0.279 . . . . 0.4 110.246 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.4 pt-20 -92.58 124.44 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.508 0.67 . . . . 2.4 110.886 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 53.3 tp -111.43 130.2 55.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.969 -1.014 . . . . 0.76 110.217 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.8 118.32 34.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.685 -0.487 . . . . 0.96 109.685 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.39 121.48 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.719 -0.673 . . . . 0.31 109.817 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' HD12 ' A' ' 89' ' ' LEU . 64.9 mtt180 -88.15 118.03 27.45 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 3.03 109.891 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 t -89.16 124.71 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.263 -0.426 . . . . 0.46 110.317 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.5 113.93 25.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 0.89 109.67 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 . . . . . 0 C--N 1.317 -0.811 0 CA-C-N 115.707 -0.679 . . . . 0.99 110.84 -178.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 108.997 -0.742 . . . . 1.75 108.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 m -77.54 130.94 37.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.382 -0.372 . . . . 0.66 110.468 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -96.3 101.47 13.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.455 -0.572 . . . . 2.34 109.455 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.478 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.0 mm -98.67 121.63 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 0.44 110.54 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -95.22 112.02 23.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.165 -0.471 . . . . 0.51 109.891 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HG ' HG22 ' A' ' 29' ' ' ILE . 96.4 mt -116.46 129.42 56.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.284 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.7 ttm180 -92.78 110.1 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.313 -0.625 . . . . 3.71 109.313 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.6 m -117.57 151.11 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.457 -0.792 . . . . 0.43 111.147 -172.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -94.98 161.09 14.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 1.52 109.823 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.01 -19.12 67.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.872 -0.68 . . . . 0.49 112.691 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.6 5.74 48.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.553 0.216 . . . . 2.21 111.499 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HD22 ' A' ' 77' ' ' LEU . 47.3 tp -89.83 130.0 36.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.725 -0.472 . . . . 0.3 109.725 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 50.6 p-80 -82.35 153.83 25.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.486 -0.324 . . . . 0.44 111.036 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.785 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 18.6 mm -49.83 -47.95 22.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 123.664 0.786 . . . . 0.26 112.189 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.86 -29.86 68.44 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.018 -0.611 . . . . 0.27 112.592 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.23 -37.37 48.63 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.12 -0.792 . . . . 0.37 111.12 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 77' ' ' LEU . 39.0 t -63.33 -46.07 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.31 109.348 174.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.2 mtp -58.14 -37.32 74.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.465 -0.788 . . . . 1.26 110.747 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.35 -29.67 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 1.02 110.568 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.4 mttm -73.47 -22.08 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.22 111.796 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.3 mm? -63.09 -43.06 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 170.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.31 -37.17 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.65 109.932 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 32.4 tt0 -59.75 -34.35 72.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.054 -0.976 . . . . 2.36 111.351 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.2 tp60 -72.14 -54.54 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 1.34 111.932 -174.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 1.03 111.929 -175.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 110.5 -0.185 . . . . 4.26 110.5 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.0 165.22 6.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.66 110.615 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 HG23 ' A' ' 39' ' ' ILE . 87.6 mt -98.89 130.67 45.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.876 0.369 . . . . 1.22 110.522 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 56.0 t-105 -106.41 113.59 27.19 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.775 -0.648 . . . . 0.56 109.756 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -86.22 109.32 18.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.657 -0.868 . . . . 0.35 108.657 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.39 -41.87 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.605 -0.271 . . . . 2.31 111.466 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 97.1 mt-30 -55.33 -39.85 70.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 1.69 111.528 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -98.5 -19.34 17.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.457 -0.338 . . . . 1.1 111.211 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 57.41 79.82 0.18 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.329 -0.619 . . . . 3.52 109.329 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 t -164.41 148.36 9.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.487 -0.779 . . . . 1.59 110.158 -172.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.435 ' CZ3' HG23 ' A' ' 91' ' ' THR . 84.4 m95 -96.58 124.89 40.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -69.01 104.61 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.122 0.487 . . . . 0.61 110.102 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.45 -12.58 15.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.89 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -79.91 60.85 3.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 1.95 109.418 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.785 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 20.2 p -67.54 -24.2 65.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.215 -0.902 . . . . 0.64 111.81 -174.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -85.09 -9.48 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 2.94 110.231 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 79' ' ' LYS . 11.9 m0 -88.42 156.27 19.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.76 110.124 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.78 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.7 p -89.74 169.98 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.576 -0.284 . . . . 0.38 110.891 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.43 -45.43 84.65 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.047 0.451 . . . . 0.62 110.07 176.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.8 -42.7 99.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.494 -0.776 . . . . 1.49 111.109 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 32.4 tttp -73.15 -22.51 60.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 1.69 110.775 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.9 t -83.54 -45.85 13.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.314 -0.403 . . . . 0.94 110.425 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.13 -3.34 23.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.706 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -80.63 127.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.33 110.952 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -116.26 -175.95 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 2.37 110.875 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.08 -11.79 61.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.361 0.504 . . . . 0.88 112.361 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -83.56 -18.2 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 2.14 111.023 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -74.2 133.74 42.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.999 0.428 . . . . 0.48 111.666 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -83.69 109.89 17.85 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.121 -0.696 . . . . 1.92 109.121 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 61' ' ' LEU . 14.0 tp -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.35 110.676 -173.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 62' ' ' TRP . 22.2 tp -109.42 142.89 39.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.714 -0.675 . . . . 0.39 109.497 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.633 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 14.0 t80 -114.96 110.74 20.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.4 109.571 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.435 HG23 ' CZ3' ' A' ' 69' ' ' TRP . 1.8 t -141.26 150.95 60.14 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.096 -0.502 . . . . 0.6 110.814 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.67 155.44 70.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.427 2.085 . . . . 1.04 110.84 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.986 -0.286 . . . . 1.46 111.266 -176.785 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.813 -0.515 . . . . 26.14 111.813 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 67.5 mt 63.91 101.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.252 0.549 . . . . 24.82 110.801 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -119.68 148.48 46.2 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.935 -0.575 . . . . 23.21 110.663 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.656 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 95.2 Cg_endo -88.79 25.34 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.031 2.487 . . . . 22.08 113.112 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -114.85 -25.73 8.09 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.728 0.269 . . . . 19.82 111.728 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 90.0 m -75.95 92.82 3.16 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.062 0.764 . . . . 18.37 113.062 -172.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt 55.2 32.76 19.14 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.236 0.828 . . . . 17.23 113.236 166.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt 59.61 -156.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.11 0.256 . . . . 14.96 111.295 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m 73.63 -43.01 0.54 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.55 0.74 . . . . 14.83 111.709 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 m -127.51 26.42 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.182 0.515 . . . . 12.3 110.061 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.656 ' HA2' ' HA ' ' A' ' -2' ' ' PRO . . . -116.0 -78.34 0.72 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.482 -0.866 . . . . 10.54 113.008 -175.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -89.91 136.22 33.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.909 0.385 . . . . 8.98 111.457 -175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' O ' ' HB ' ' A' ' 8' ' ' THR . 5.9 mp -103.16 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 9.0 110.543 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 7' ' ' LEU . 13.4 t 175.98 14.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.309 0.576 . . . . 5.9 110.155 -175.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -67.28 -25.55 66.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 4.74 111.003 -174.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.18 95.4 7.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.133 0.492 . . . . 1.97 110.676 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 23.7 m -122.86 116.81 24.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.873 0.844 . . . . 1.22 110.055 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.627 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 11.3 p-90 -118.34 146.08 44.63 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.277 -1.329 . . . . 0.4 110.008 -173.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 11.7 pt-20 -84.45 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.208 0.527 . . . . 2.4 110.014 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 51.8 tp -112.92 125.76 54.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.747 -0.66 . . . . 0.76 109.841 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -87.66 119.74 35.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.413 0.625 . . . . 0.96 110.014 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 58.9 t -111.42 115.1 48.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.472 -0.785 . . . . 0.31 109.771 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' O ' HD12 ' A' ' 89' ' ' LEU . 20.4 ttp180 -86.8 111.72 21.01 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 3.03 109.577 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 50' ' ' MET . 48.7 t -83.43 112.74 21.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 121.081 0.467 . . . . 0.46 110.936 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.623 ' HB2' HD11 ' A' ' 89' ' ' LEU . 24.7 t70 -97.05 103.89 15.86 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.678 -0.692 . . . . 0.89 109.205 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -71.67 130.57 41.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.99 109.543 -177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -1.61 4.48 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.915 0.709 . . . . 1.79 112.915 -170.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.63 -12.41 25.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.827 0.346 . . . . 4.01 110.598 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.29 30.23 67.42 Favored Glycine 0 C--N 1.331 0.27 0 N-CA-C 111.146 -0.782 . . . . 2.95 111.146 -174.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -82.91 -36.95 24.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.078 0.466 . . . . 6.14 111.801 -174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 178.75 151.52 0.3 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.345 -0.843 . . . . 3.74 109.164 -169.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -108.43 140.72 41.33 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.972 -0.381 . . . . 1.75 109.972 172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 7.5 m -116.97 123.83 47.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.176 -0.465 . . . . 0.66 110.409 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -99.15 102.42 14.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.274 0.559 . . . . 2.34 110.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG21 ' HG3' ' A' ' 49' ' ' GLN . 46.6 mm -103.56 135.2 42.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.44 110.535 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -113.97 117.08 30.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.949 0.404 . . . . 0.51 110.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.9 mt -118.2 134.92 54.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.95 -0.568 . . . . 0.52 109.782 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 48.2 ttp180 -93.61 110.72 22.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.444 0.64 . . . . 3.71 109.564 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 77' ' ' LEU . 16.6 m -110.87 154.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.348 -0.842 . . . . 0.43 110.708 -174.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 19.2 m -100.69 14.24 32.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.546 0.689 . . . . 1.52 111.57 -176.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.82 -41.73 2.2 Favored Glycine 0 C--N 1.308 -0.995 0 CA-C-N 115.04 -0.982 . . . . 0.49 112.904 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.08 3.79 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.988 0.423 . . . . 2.21 111.027 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 43.1 tp -78.32 128.02 33.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 0.3 109.586 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.907 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 18.9 p-80 -78.51 150.59 32.88 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.153 -0.219 . . . . 0.44 110.783 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.736 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.3 mm -53.08 -42.28 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 123.143 0.577 . . . . 0.26 112.52 -173.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.56 64.84 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.083 -0.579 . . . . 0.27 112.839 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -70.85 -39.79 64.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.764 -0.731 . . . . 0.37 111.471 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 HD11 ' A' ' 77' ' ' LEU . 25.9 t -63.33 -43.29 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.94 0.4 . . . . 0.31 110.03 177.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 66.8 mtp -55.06 -42.36 72.62 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.623 -0.717 . . . . 1.26 111.404 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.1 tp -67.0 -42.15 85.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.1 -0.5 . . . . 1.02 110.785 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 68.1 mttm -63.9 -35.87 82.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 1.22 111.795 -176.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -58.07 -50.22 74.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.96 110.426 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -57.39 -39.11 66.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.992 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.84 -34.79 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 2.36 111.193 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 29' ' ' ILE . 14.3 mm100 -65.7 -52.55 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 1.34 111.886 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 18' ' ' VAL . 3.7 mpp? -67.41 -48.2 68.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.61 -0.436 . . . . 1.03 110.833 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 54.74 74.61 0.34 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.612 0.72 . . . . 1.95 110.253 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.7 mt -127.42 135.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.601 -0.727 . . . . 1.56 110.254 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 72.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.119 0.485 . . . . 2.71 111.614 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.56 156.93 46.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.011 -0.736 . . . . 3.75 109.011 171.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -83.43 108.13 16.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.06 0.457 . . . . 2.95 111.341 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -81.76 73.03 8.81 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.467 -0.938 . . . . 2.18 108.467 174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -47.88 -44.29 29.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.944 -1.025 . . . . 2.67 112.255 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HB3' ' H ' ' A' ' 95' ' ' LYS . 10.8 t0 -158.45 106.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.246 -0.65 . . . . 2.77 109.246 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.617 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 40.8 p90 -116.73 151.25 36.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 4.26 111.232 -174.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.63 178.62 5.26 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.119 -0.491 . . . . 0.66 110.51 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.3 mm? -96.87 139.92 32.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.158 0.504 . . . . 1.22 111.224 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -113.22 114.68 27.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.293 -0.867 . . . . 0.56 109.235 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.49 ' HE1' ' HB1' ' A' ' 86' ' ' ALA . 4.0 t90 -83.06 110.05 17.66 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.814 -0.81 . . . . 0.35 108.814 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.61 -43.15 81.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.835 0.35 . . . . 2.31 111.829 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -78.12 -2.13 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.518 0.562 . . . . 1.69 112.518 -172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -127.81 -11.83 5.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.741 0.305 . . . . 1.1 110.551 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 51.71 74.16 0.27 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.485 -0.78 . . . . 3.52 110.829 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 21.3 p -158.76 149.24 19.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.702 -0.681 . . . . 1.59 110.682 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -96.12 125.95 41.0 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.409 -0.589 . . . . 0.57 109.409 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -71.92 104.78 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.052 0.453 . . . . 0.61 109.79 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -121.31 1.63 10.23 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.405 -0.816 . . . . 0.73 110.056 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -92.77 65.74 4.26 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.836 -0.802 . . . . 1.95 108.836 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.736 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 52.6 p -66.78 -25.09 66.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.784 -1.098 . . . . 0.64 110.658 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -79.08 -4.46 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.892 -1.049 . . . . 2.94 110.389 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -104.63 152.05 22.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.76 110.253 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.907 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 48.2 p -84.85 169.4 14.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.172 -0.467 . . . . 0.38 110.86 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 42' ' ' VAL . 5.9 mp -57.43 -47.17 82.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.62 110.621 174.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -67.89 -33.16 74.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.443 -0.799 . . . . 1.49 110.999 -177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -71.42 -40.77 70.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 1.69 110.652 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.91 -36.98 75.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.94 110.602 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.54 9.02 34.13 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.635 -0.793 . . . . 0.35 112.474 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.6 p -94.66 117.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.21 0.528 . . . . 0.33 110.63 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.627 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 51.8 mt-30 -131.15 -171.8 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.722 -0.672 . . . . 2.37 110.462 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.53 -13.13 60.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.457 0.54 . . . . 0.88 112.457 -172.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.96 -13.65 60.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.14 110.951 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB1' ' HE1' ' A' ' 63' ' ' TRP . . . -111.93 149.9 31.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.156 -0.474 . . . . 0.48 110.876 -177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -90.02 139.24 30.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.446 -0.576 . . . . 1.92 109.446 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.728 ' HG ' HD12 ' A' ' 61' ' ' LEU . 15.7 tp -125.43 126.42 44.92 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.099 0.475 . . . . 0.35 110.518 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 19' ' ' ASP . 13.7 tp -103.44 131.38 50.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.742 -0.663 . . . . 0.39 109.415 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 74.5 t80 -103.6 109.93 21.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.286 -0.635 . . . . 0.4 109.286 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.3 t -141.88 138.75 17.34 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 116.27 -0.423 . . . . 0.6 110.294 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.617 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 17.0 Cg_exo -67.09 133.52 31.15 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.164 1.91 . . . . 1.04 111.284 175.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -77.87 1.16 21.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.293 0.568 . . . . 1.46 109.85 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 4.0 t-80 65.47 25.51 11.87 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.773 -1.103 . . . . 4.6 111.867 166.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 94' ' ' HIS . 17.4 pttp 51.78 -170.21 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 124.13 0.894 . . . . 6.92 112.0 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.624 -0.703 . . . . 8.34 109.24 172.5 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.846 -0.501 . . . . 26.14 111.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 2.8 pp -102.2 176.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.781 -0.247 . . . . 24.82 110.632 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.6 167.89 5.01 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.513 -0.551 . . . . 23.21 109.513 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.22 7.15 0.4 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.152 2.568 . . . . 22.08 113.851 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 70.44 171.1 0.31 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.563 0.697 . . . . 19.82 111.834 176.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 5.7 p -98.36 20.38 12.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.143 -0.935 . . . . 18.37 110.765 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm -77.69 66.55 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.253 0.549 . . . . 17.23 110.866 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.3 tp -161.53 -43.28 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.162 -0.927 . . . . 14.96 108.778 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -81.94 65.38 7.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.41 -0.813 . . . . 14.83 110.625 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 m -150.12 34.97 0.66 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.944 -0.571 . . . . 12.3 109.773 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.69 -149.25 29.86 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.551 -0.749 . . . . 10.54 111.297 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -102.95 93.05 4.83 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.66 -0.496 . . . . 8.98 109.66 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -116.77 -28.68 6.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.743 -0.662 . . . . 9.0 110.736 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -142.08 146.4 35.39 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.164 0.507 . . . . 5.9 110.883 -176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.477 ' OG ' ' HB2' ' A' ' 34' ' ' SER . 7.0 t -90.9 -33.24 15.7 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.988 -0.745 . . . . 4.74 108.988 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . 67.42 121.56 0.03 OUTLIER 'General case' 0 C--N 1.338 0.101 0 CA-C-N 114.796 -1.093 . . . . 1.97 112.163 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 30.2 m -94.68 93.54 7.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.586 0.708 . . . . 1.22 109.848 175.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 7.3 p-90 -93.49 146.51 23.72 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.981 -1.009 . . . . 0.4 110.221 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -82.67 117.49 22.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.644 0.735 . . . . 2.4 111.334 -175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 68.0 tp -114.44 134.3 55.1 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.885 -1.052 . . . . 0.76 109.69 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.09 119.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.392 0.615 . . . . 0.96 109.962 175.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -109.29 109.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.684 -0.689 . . . . 0.31 109.503 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 1.01 ' HG2' ' HB3' ' A' ' 28' ' ' GLU . 57.6 mtt180 -84.93 110.39 18.84 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.713 -0.477 . . . . 3.03 109.713 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 50' ' ' MET . 56.3 t -85.34 115.19 26.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.133 -0.485 . . . . 0.46 110.614 -178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.866 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.8 t70 -96.24 133.06 41.04 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.524 -0.762 . . . . 0.89 108.985 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -112.05 143.71 42.6 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.19 -0.459 . . . . 0.99 110.718 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.72 -46.67 62.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.596 -0.52 . . . . 1.79 109.596 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -143.82 123.24 13.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.906 -0.588 . . . . 4.01 110.448 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.16 143.09 11.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.06 -0.59 . . . . 2.95 113.001 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.706 ' HG3' HD13 ' A' ' 52' ' ' ILE . 7.9 mm-40 61.75 174.41 0.12 Allowed 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.205 0.817 . . . . 6.14 113.205 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -92.66 -174.66 3.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.092 -0.958 . . . . 3.74 108.824 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 3.1 mt-30 -72.86 95.8 2.0 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.141 -0.688 . . . . 1.75 109.141 170.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 m -77.32 108.12 10.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.566 -0.743 . . . . 0.66 110.47 -172.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 1.01 ' HB3' ' HG2' ' A' ' 17' ' ' ARG . 7.8 pt-20 -99.22 106.99 19.2 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.598 0.713 . . . . 2.34 110.724 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HG21 ' HG2' ' A' ' 49' ' ' GLN . 47.0 mm -100.93 132.58 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 114.964 -1.017 . . . . 0.44 110.019 -178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -98.46 102.14 13.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.473 -0.566 . . . . 0.51 109.473 178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.3 mt -106.69 139.36 41.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.52 109.767 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -93.54 109.38 20.99 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.64 0.733 . . . . 3.71 109.619 173.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' SER . 26.9 m -115.55 150.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.684 -1.144 . . . . 0.43 110.654 -173.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 58.6 p -91.38 157.4 17.12 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.126 -0.488 . . . . 1.52 110.033 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -64.63 -19.36 64.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.795 -0.717 . . . . 0.49 112.348 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.36 13.53 21.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 2.21 111.331 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 50.9 tp -94.19 124.88 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.926 -0.398 . . . . 0.3 109.926 176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 40.4 p-80 -80.61 151.3 29.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.44 111.118 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.721 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.1 mm -50.32 -46.28 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 123.54 0.736 . . . . 0.26 112.708 -175.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.61 75.48 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.805 -0.712 . . . . 0.27 112.303 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.82 -34.11 56.71 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.257 -0.737 . . . . 0.37 111.257 178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -64.61 -44.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.355 -0.609 . . . . 0.31 109.355 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.404 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 73.0 mtp -54.15 -44.47 71.44 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.34 -0.845 . . . . 1.26 111.182 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.77 -41.81 87.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.62 -0.718 . . . . 1.02 110.444 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -69.41 -31.11 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 1.22 111.537 -176.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 46' ' ' LEU . 2.0 mm? -62.27 -52.79 62.3 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.858 0.361 . . . . 0.96 110.16 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 56' ' ' TRP . 97.8 t -55.36 -46.2 78.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.163 0.506 . . . . 0.65 110.397 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.3 -30.65 71.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.993 -1.003 . . . . 2.36 111.401 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.51 ' HG2' HG21 ' A' ' 29' ' ' ILE . 7.4 tp60 -73.92 -55.11 6.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.305 -0.407 . . . . 1.34 111.787 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.535 ' HB3' HG13 ' A' ' 52' ' ' ILE . 3.3 mpp? -87.42 -47.21 8.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.44 0.533 . . . . 1.03 112.44 -172.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 55.31 71.67 0.53 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.265 0.555 . . . . 1.95 110.302 -173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.706 HD13 ' HG3' ' A' ' 24' ' ' GLU . 73.8 mt -113.46 142.18 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.991 -0.549 . . . . 1.56 110.899 -173.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.02 92.93 0.18 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.865 -0.607 . . . . 2.71 112.324 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -165.15 177.68 7.52 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.405 -0.961 . . . . 3.75 108.405 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -94.0 124.4 37.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.398 0.618 . . . . 2.95 109.963 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.453 ' CD2' HG22 ' A' ' 47' ' ' VAL . 90.6 m95 -95.78 9.14 41.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.819 -0.628 . . . . 2.18 110.27 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.3 m -64.88 -51.87 59.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.727 -0.67 . . . . 2.67 110.52 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' HB3' ' HG2' ' A' ' 95' ' ' LYS . 12.5 t70 -99.67 98.9 9.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.093 -0.706 . . . . 2.77 109.093 175.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.2 OUTLIER -161.15 145.12 13.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.719 -0.673 . . . . 4.26 110.119 -175.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -162.01 167.57 24.22 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.322 -0.399 . . . . 0.66 110.034 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.5 mm? -80.99 129.16 34.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.06 0.457 . . . . 1.22 110.336 176.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.2 t-105 -103.66 115.11 29.9 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.085 -0.709 . . . . 0.56 109.085 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -81.43 109.17 15.66 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 107.549 -1.278 . . . . 0.35 107.549 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -69.52 -52.16 29.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.39 -0.823 . . . . 2.31 111.203 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.51 -32.13 72.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.201 -0.454 . . . . 1.69 111.975 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -90.54 -15.94 29.74 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.169 -0.212 . . . . 1.1 111.248 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 67' ' ' ARG . 13.5 mmt180 59.01 62.1 1.96 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.211 0.529 . . . . 3.52 110.626 -176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.1 m -148.45 148.04 29.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.564 . . . . 1.59 110.903 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.547 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 93.2 m95 -96.32 128.81 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.975 -0.379 . . . . 0.57 109.975 177.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.6 mm? -83.6 103.16 12.71 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.429 -0.582 . . . . 0.61 109.429 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.3 mt -110.27 -5.75 15.2 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.096 -0.705 . . . . 0.73 109.096 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.95 66.44 4.4 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.973 -1.012 . . . . 1.95 109.046 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.721 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 19.6 p -67.03 -15.34 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.795 -0.639 . . . . 0.64 111.243 -175.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -92.94 -6.05 49.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.595 -0.729 . . . . 2.94 110.42 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.59 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 9.1 m0 -90.9 145.53 24.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.784 -0.644 . . . . 0.76 110.058 177.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.3 p -88.49 166.19 14.36 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.932 -0.576 . . . . 0.38 110.669 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.4 OUTLIER -55.54 -45.11 77.27 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.874 0.369 . . . . 0.62 110.512 177.248 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -59.53 -43.28 93.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.55 -0.75 . . . . 1.49 110.737 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.6 tptt -72.43 -32.86 66.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.87 -0.605 . . . . 1.69 111.268 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 82' ' ' VAL . 69.5 m -75.92 -30.84 58.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.805 0.335 . . . . 0.94 110.907 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.31 7.48 58.2 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.837 -0.697 . . . . 0.35 112.425 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.8 p -86.26 119.88 35.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.547 . . . . 0.33 110.58 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -94.36 -170.28 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.327 -0.851 . . . . 2.37 110.86 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.37 -27.91 34.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 0.88 111.419 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.98 1.22 54.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.055 0.455 . . . . 2.14 110.786 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.61 123.17 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.48 110.0 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -69.03 115.2 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.86 0.362 . . . . 1.92 110.324 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.632 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.5 tp -117.87 127.36 53.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.065 -0.516 . . . . 0.35 110.337 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.78 144.72 34.54 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.39 109.367 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' HB3' HG22 ' A' ' 18' ' ' VAL . 8.8 t80 -120.05 106.36 11.92 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.128 -0.693 . . . . 0.4 109.128 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.866 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 13.0 t -143.89 152.28 55.02 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.862 -0.421 . . . . 0.6 109.862 -174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.707 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 10.1 Cg_endo -54.56 137.27 72.87 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.477 2.118 . . . . 1.04 111.244 174.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 23.5 pt20 -85.25 -38.73 18.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.801 -0.36 . . . . 1.46 111.595 -172.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -130.92 7.58 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.975 -0.29 . . . . 4.6 111.562 -176.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.925 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 4.4 mmpt? -80.17 96.95 6.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.071 0.462 . . . . 6.92 111.453 177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.959 0 N-CA-C 108.351 -0.981 . . . . 8.34 108.351 173.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.675 -0.57 . . . . 26.14 111.675 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.748 HG23 ' HA ' ' A' ' 0' ' ' THR . 3.9 mp -99.89 92.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.221 0.534 . . . . 24.82 110.463 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.866 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 22.2 t70 -142.4 -59.14 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.795 -0.639 . . . . 23.21 109.902 173.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.866 ' HD3' ' HB3' ' A' ' -3' ' ' ASP . 2.8 Cg_exo -77.58 -47.12 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.961 1.774 . . . . 22.08 110.974 170.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -101.57 87.49 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.938 -0.574 . . . . 19.82 111.099 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.748 ' HA ' HG23 ' A' ' -4' ' ' ILE . 9.2 t -89.26 -20.13 24.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.513 -1.292 . . . . 18.37 107.513 168.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.667 ' HG2' ' H ' ' A' ' 2' ' ' LEU . 33.9 ttp -147.85 -169.91 3.45 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 106.863 -1.532 . . . . 17.23 106.863 174.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.667 ' H ' ' HG2' ' A' ' 1' ' ' MET . 99.2 mt -73.94 79.84 1.66 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 118.393 0.542 . . . . 14.96 111.087 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -129.05 99.33 5.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.219 -0.446 . . . . 14.83 110.559 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -94.04 -6.8 44.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.386 -0.37 . . . . 12.3 111.822 -176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 82.17 -78.95 1.91 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.62 -0.8 . . . . 10.54 111.226 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -93.88 118.66 31.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.994 -0.372 . . . . 8.98 109.994 172.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -101.51 11.99 38.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.424 . . . . 9.0 110.296 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -77.62 -55.56 5.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.1 -0.5 . . . . 5.9 109.726 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -174.86 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.566 -0.743 . . . . 4.74 109.849 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.26 33.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 1.97 109.728 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 m -70.38 114.76 8.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.576 -0.738 . . . . 1.22 110.257 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.651 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.4 p-90 -92.85 146.2 23.82 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.15 -0.932 . . . . 0.4 110.235 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.1 112.91 18.9 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.617 0.723 . . . . 2.4 110.701 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.5 tp -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.24 -0.891 . . . . 0.76 110.018 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 6.2 p -90.09 120.19 38.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.407 0.622 . . . . 0.96 109.737 175.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.529 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.4 t -119.4 131.28 72.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.743 -0.662 . . . . 0.31 109.413 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 79.5 mtp180 -96.22 116.8 29.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.017 0.436 . . . . 3.03 109.909 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 47.4 t -87.34 115.65 28.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.837 -0.62 . . . . 0.46 110.637 -178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 29.2 t70 -96.8 106.94 19.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.276 -0.638 . . . . 0.89 109.276 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -75.78 144.96 41.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.739 -0.664 . . . . 0.99 111.034 -174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.84 171.3 7.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.619 -0.719 . . . . 1.79 109.551 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 67.14 17.0 10.34 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.828 0.823 . . . . 4.01 109.625 -177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.17 -179.98 41.0 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 110.547 -1.021 . . . . 2.95 110.547 -177.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -113.18 119.9 39.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.316 0.558 . . . . 6.14 110.362 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -173.53 117.35 0.27 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 3.74 110.269 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.593 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 45.3 mt-30 -110.82 124.1 51.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.843 0.354 . . . . 1.75 110.429 174.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 9.1 m -107.59 137.53 45.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.862 -0.608 . . . . 0.66 110.392 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.4 mp0 -98.41 112.14 24.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.873 0.368 . . . . 2.34 110.293 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 49' ' ' GLN . 46.9 mm -111.31 140.15 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.44 110.089 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.8 m -121.11 108.48 13.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.048 0.451 . . . . 0.51 110.714 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.8 mt -109.16 133.84 52.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.953 -0.567 . . . . 0.52 110.401 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -91.07 108.2 19.71 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.076 -0.713 . . . . 3.71 109.076 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.86 162.59 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.366 -0.833 . . . . 0.43 111.075 -172.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -122.92 170.0 10.57 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.093 -0.706 . . . . 1.52 109.093 174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.48 -14.61 62.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.079 -0.581 . . . . 0.49 113.429 -173.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -76.94 -15.37 59.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.32 . . . . 2.21 111.145 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 77' ' ' LEU . 40.2 tp -79.8 140.88 36.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.965 -0.383 . . . . 0.3 109.965 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.9 p-80 -90.33 152.02 21.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.417 -0.356 . . . . 0.44 110.776 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.639 HG23 HD12 ' A' ' 61' ' ' LEU . 22.6 mm -51.96 -45.04 39.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 112.717 0.636 . . . . 0.26 112.717 -175.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.67 -33.25 66.87 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.917 -0.659 . . . . 0.27 112.857 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.13 -39.59 72.64 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.939 -0.648 . . . . 0.37 111.572 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG21 HD11 ' A' ' 77' ' ' LEU . 41.9 t -64.54 -44.78 96.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.91 -0.404 . . . . 0.31 109.91 177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.51 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.0 mtp -55.43 -37.84 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.578 -0.737 . . . . 1.26 111.371 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -40.13 71.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 1.02 110.708 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.02 -30.4 71.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 1.22 111.558 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -57.8 -53.16 61.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.646 0.26 . . . . 0.96 110.32 174.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -59.24 -40.89 82.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.272 -0.422 . . . . 0.65 110.774 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.03 -42.29 80.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 2.36 110.978 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' HG3' ' CG2' ' A' ' 29' ' ' ILE . 15.0 mm100 -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.34 112.224 -176.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -75.86 -35.16 60.01 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.587 -0.445 . . . . 1.03 110.768 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.1 t30 60.4 75.22 0.42 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.536 0.684 . . . . 1.95 110.385 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.6 mt -134.09 98.23 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.831 . . . . 1.56 109.557 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.95 89.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.963 -0.562 . . . . 2.71 110.893 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -148.68 -172.51 4.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.701 -0.682 . . . . 3.75 109.574 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.86 117.23 14.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.015 0.436 . . . . 2.95 111.012 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -119.54 33.96 5.41 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.873 -0.603 . . . . 2.18 109.441 173.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 m -63.31 -33.4 75.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 2.67 111.379 -177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -110.43 102.19 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.8 -0.445 . . . . 2.77 109.8 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 1.5 p90 -158.64 150.52 21.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.544 -0.298 . . . . 4.26 110.313 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.59 169.38 7.25 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.365 0.416 . . . . 0.66 110.757 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.639 HD12 HG23 ' A' ' 39' ' ' ILE . 75.7 mt -93.34 127.53 38.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.238 -0.437 . . . . 1.22 110.314 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -104.66 114.98 29.55 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.883 -0.598 . . . . 0.56 109.619 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -86.81 110.34 19.88 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.967 -0.753 . . . . 0.35 108.967 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.41 -34.23 76.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.762 0.315 . . . . 2.31 111.804 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -71.1 -32.64 69.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.304 -0.407 . . . . 1.69 111.703 -175.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -106.52 -20.41 13.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.642 -0.253 . . . . 1.1 111.048 -177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 57.89 82.87 0.12 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.607 0.718 . . . . 3.52 110.718 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 p -167.39 148.6 5.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.832 -1.077 . . . . 1.59 109.813 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.628 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 97.3 m95 -96.76 122.62 39.91 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.847 -0.427 . . . . 0.57 109.847 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -76.12 103.66 6.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.61 109.577 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.04 -5.56 10.51 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.277 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 75' ' ' TRP . 46.3 mmtm -78.82 70.42 5.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.23 -0.895 . . . . 1.95 108.948 171.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.4 p -68.99 -19.08 64.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.704 . . . . 0.64 111.651 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.72 -12.05 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 2.94 110.661 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 72' ' ' LYS . 12.8 m0 -80.48 142.25 34.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.193 -0.458 . . . . 0.76 110.558 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.712 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 45.7 p -82.88 164.82 20.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.054 -0.521 . . . . 0.38 110.523 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD23 ' CH2' ' A' ' 12' ' ' TRP . 5.5 mp -59.1 -41.16 87.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.013 0.435 . . . . 0.62 110.624 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.8 -32.99 71.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 1.49 110.458 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.06 -43.67 78.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 1.69 110.426 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.7 m -72.18 -42.56 65.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.94 110.975 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.76 18.45 15.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.381 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.2 115.66 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.125 0.488 . . . . 0.33 110.383 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 98.5 mt-30 -121.07 -164.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.729 -0.668 . . . . 2.37 110.843 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.9 -21.06 66.42 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.569 0.581 . . . . 0.88 112.569 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -95.5 10.95 34.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.871 0.367 . . . . 2.14 111.349 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.33 127.29 42.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.478 -0.328 . . . . 0.48 110.931 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -72.33 108.9 5.7 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 109.457 -0.571 . . . . 1.92 109.457 176.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 61' ' ' LEU . 20.3 tp -122.72 126.42 47.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.35 110.861 -174.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 19' ' ' ASP . 22.0 tp -112.4 125.53 54.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.778 -0.646 . . . . 0.39 109.518 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.595 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 55.0 t80 -103.38 108.88 20.3 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.385 -0.526 . . . . 0.4 109.861 178.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.81 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.7 t -144.09 151.26 51.68 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.915 -0.584 . . . . 0.6 110.232 -178.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.6 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 72.7 Cg_exo -51.16 124.71 14.57 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.123 1.882 . . . . 1.04 110.448 169.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.628 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 2.9 pt20 -57.26 -38.87 74.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.478 -0.328 . . . . 1.46 111.69 -173.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 14.8 t-80 53.97 41.95 31.84 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.001 0.429 . . . . 4.6 110.511 173.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 94' ' ' HIS . 24.9 ttpp 71.19 139.83 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.394 -0.821 . . . . 6.92 111.291 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 69' ' ' TRP . 64.4 mtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.585 -0.721 . . . . 8.34 110.527 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.81 -0.516 . . . . 26.14 111.81 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.94 105.42 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.647 -0.501 . . . . 24.82 109.647 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -93.18 126.26 51.53 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.865 -0.607 . . . . 23.21 111.404 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.48 -15.7 12.31 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.872 2.381 . . . . 22.08 113.277 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -71.03 -36.96 72.56 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.991 -0.374 . . . . 19.82 109.991 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 76.8 p 53.99 -161.34 0.13 Allowed 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.407 -0.815 . . . . 18.37 112.273 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt -78.34 78.95 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.293 0.568 . . . . 17.23 110.566 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 tp -116.53 -28.99 6.27 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.709 -0.678 . . . . 14.96 110.121 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 m -142.0 89.03 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.783 -0.644 . . . . 14.83 110.212 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 t -87.68 -28.81 21.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.887 -0.597 . . . . 12.3 109.989 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.84 123.61 1.43 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.806 -0.712 . . . . 10.54 112.052 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -106.6 -58.88 1.87 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 8.98 109.683 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.6 pt? -104.03 -31.88 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.599 -0.519 . . . . 9.0 109.599 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.2 m -119.51 99.78 6.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.83 -0.623 . . . . 5.9 110.205 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 m -104.59 40.31 1.51 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.796 -0.638 . . . . 4.74 110.156 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . -79.44 42.19 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 1.97 111.566 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 44.7 m -107.79 110.64 22.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.043 -0.725 . . . . 1.22 109.043 174.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.1 p-90 -122.32 168.16 12.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.964 -0.562 . . . . 0.4 111.499 -172.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -86.45 104.71 16.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.281 0.562 . . . . 2.4 111.027 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 tp -99.62 109.43 21.93 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.398 -0.819 . . . . 0.76 109.64 176.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -86.18 120.28 35.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.327 0.584 . . . . 0.96 110.117 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.423 HG22 HD23 ' A' ' 88' ' ' LEU . 41.0 t -111.59 121.88 64.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.756 -0.656 . . . . 0.31 109.939 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.894 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 87.0 mtt180 -81.98 112.17 18.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.188 -0.46 . . . . 3.03 109.945 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 38.7 t -89.89 116.86 32.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.224 -0.444 . . . . 0.46 110.492 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.505 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 17.8 t70 -111.78 137.44 49.7 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.744 -0.662 . . . . 0.89 109.744 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.969 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 49.2 m-70 -118.61 150.04 40.35 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.119 -0.697 . . . . 0.99 109.119 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.05 20.55 17.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.697 0.284 . . . . 1.79 111.342 -174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -152.86 97.0 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.91 0.386 . . . . 4.01 111.741 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.86 33.37 83.02 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.571 -0.741 . . . . 2.95 114.295 172.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.969 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 4.2 mm-40 -141.35 150.5 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.218 0.509 . . . . 6.14 111.349 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -103.51 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.65 . . . . 3.74 109.529 174.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 73.9 mt-30 -74.84 131.54 40.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.205 0.526 . . . . 1.75 111.798 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 97.7 m -116.89 132.72 56.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.394 -0.821 . . . . 0.66 109.399 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.894 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 48.6 mt-10 -97.49 112.9 24.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.003 0.43 . . . . 2.34 110.684 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' A' ' 49' ' ' GLN . 38.1 mm -102.19 123.89 55.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.711 -0.677 . . . . 0.44 110.193 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.7 m -96.82 114.09 25.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.051 0.453 . . . . 0.51 110.148 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.15 140.13 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.026 -0.534 . . . . 0.52 110.628 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -93.23 108.68 20.26 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.16 -1.052 . . . . 3.71 108.16 174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 11' ' ' SER . 17.7 m -128.62 150.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.113 0.483 . . . . 0.43 111.559 -172.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 15.7 p -98.07 154.48 17.69 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.511 -0.768 . . . . 1.52 109.928 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.83 -22.84 70.53 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.767 . . . . 0.49 112.346 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -77.16 -4.8 46.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.975 0.417 . . . . 2.21 111.166 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.3 tp -79.61 131.99 36.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.779 -0.452 . . . . 0.3 109.779 176.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.795 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -82.29 150.11 27.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.228 -0.442 . . . . 0.44 110.438 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.641 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.2 mm -51.13 -46.71 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 113.078 0.77 . . . . 0.26 113.078 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.97 -28.64 63.9 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.736 -0.745 . . . . 0.27 112.426 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -77.13 -22.17 71.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.042 -0.599 . . . . 0.37 111.617 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG21 HD11 ' A' ' 77' ' ' LEU . 46.4 t -77.85 -49.68 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.273 -0.64 . . . . 0.31 109.273 175.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 mtp -56.67 -38.36 72.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.411 -0.813 . . . . 1.26 111.098 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.3 tp -61.15 -38.43 86.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.674 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 62.4 mttp -67.56 -33.26 74.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.921 -0.581 . . . . 1.22 111.224 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.5 mm? -57.77 -49.84 75.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.708 0.289 . . . . 0.96 110.819 178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.43 -36.7 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.236 0.541 . . . . 0.65 110.24 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.9 -34.08 76.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.385 -0.825 . . . . 2.36 111.711 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 27.9 mm-40 -62.07 -53.15 59.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.726 0.298 . . . . 1.34 111.788 -175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -80.35 -12.86 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.645 -0.252 . . . . 1.03 110.993 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.8 m120 60.12 29.96 19.47 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.151 0.5 . . . . 1.95 110.889 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.2 mt -70.98 126.33 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.664 -0.698 . . . . 1.56 110.542 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.7 118.26 3.52 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.597 -0.52 . . . . 2.71 109.597 174.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.494 ' HA ' ' CD1' ' A' ' 56' ' ' TRP . 24.9 mt-30 -59.97 120.08 8.98 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 122.049 0.928 . . . . 3.75 112.626 -171.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -148.3 36.33 0.82 Allowed 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 106.111 -1.811 . . . . 2.95 106.111 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.494 ' CD1' ' HA ' ' A' ' 54' ' ' GLN . 58.2 m95 -84.82 69.89 10.78 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.618 -1.628 . . . . 2.18 110.209 -171.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.6 m -61.15 -33.75 73.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.791 . . . . 2.67 109.84 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 94' ' ' HIS . 73.1 m-20 -125.07 113.08 17.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.393 -0.821 . . . . 2.77 109.734 175.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 13.0 p90 -158.74 142.07 14.88 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.941 -0.303 . . . . 4.26 110.421 173.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.546 ' HB3' ' HB3' ' A' ' 93' ' ' GLN . . . -170.63 167.0 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.887 -0.597 . . . . 0.66 109.899 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -98.88 134.21 42.08 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.694 -0.484 . . . . 1.22 109.694 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -117.29 121.07 40.14 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.053 -0.521 . . . . 0.56 110.593 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.582 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.0 t90 -90.4 110.66 21.75 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.473 -0.936 . . . . 0.35 108.473 174.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.17 -46.91 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.252 -0.431 . . . . 2.31 110.854 -173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -63.45 -55.03 27.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 1.69 111.89 -177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.7 -11.09 59.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 1.1 111.667 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 53.3 76.78 0.19 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.763 0.664 . . . . 3.52 111.295 -177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -165.64 148.33 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.929 -0.578 . . . . 1.59 110.371 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -95.79 122.08 38.19 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.188 -1.041 . . . . 0.57 108.188 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.641 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.3 mm? -73.19 102.96 3.76 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.227 0.537 . . . . 0.61 110.009 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.11 10.42 15.0 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.76 -0.83 . . . . 0.73 108.76 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.27 63.81 8.31 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.852 -1.067 . . . . 1.95 108.624 175.185 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 p -69.23 -19.08 63.94 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.645 -0.707 . . . . 0.64 111.276 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -88.66 -10.52 48.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.119 0.485 . . . . 2.94 110.062 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 31.7 m0 -93.83 147.74 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.068 -0.515 . . . . 0.76 110.571 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.795 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 29.6 p -91.64 169.6 10.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.694 -0.685 . . . . 0.38 110.962 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD11 HG21 ' A' ' 42' ' ' VAL . 6.1 mp -60.07 -37.78 80.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.62 111.263 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.55 -43.0 91.21 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.834 0.349 . . . . 1.49 110.897 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -65.16 -42.84 93.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.703 -0.681 . . . . 1.69 111.244 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -69.84 -36.36 75.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.02 0.438 . . . . 0.94 110.807 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.73 11.01 58.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.69 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -85.86 125.13 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.85 0.357 . . . . 0.33 110.049 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -120.23 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 2.37 110.889 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.04 -16.11 64.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.542 0.571 . . . . 0.88 112.542 -174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -95.5 4.55 53.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.944 0.402 . . . . 2.14 110.801 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.91 129.84 34.72 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.364 -0.38 . . . . 0.48 111.351 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -74.56 108.34 7.25 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.095 -0.706 . . . . 1.92 109.095 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.657 HD21 HD21 ' A' ' 61' ' ' LEU . 16.5 tp -119.35 130.22 55.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.849 -0.614 . . . . 0.35 110.752 -171.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 17' ' ' ARG . 31.2 tp -118.7 136.9 53.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.839 -0.619 . . . . 0.39 110.257 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -116.34 109.24 17.1 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.066 -0.716 . . . . 0.4 109.066 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 12.1 t -142.68 151.97 58.39 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.42 -174.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 83.4 Cg_exo -48.01 116.22 1.85 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.913 2.408 . . . . 1.04 112.371 172.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.1 pt20 -64.44 -41.03 96.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.946 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.459 ' HA ' ' OD1' ' A' ' 58' ' ' ASP . 50.6 t60 49.04 78.48 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.587 -0.733 . . . . 4.6 110.824 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.592 ' HD3' ' HG3' ' A' ' 96' ' ' MET . 1.6 tmtp? -73.59 118.27 16.34 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.5 -0.773 . . . . 6.92 109.354 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.592 ' HG3' ' HD3' ' A' ' 95' ' ' LYS . 80.3 mtp . . . . . 0 C--O 1.25 1.115 0 O-C-N 123.833 0.708 . . . . 8.34 110.532 -173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 112.167 -0.373 . . . . 26.14 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -127.76 165.09 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 122.795 -0.238 . . . . 24.82 110.871 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.07 134.39 39.04 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.885 -0.413 . . . . 23.21 109.885 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -86.85 33.13 0.43 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.244 2.629 . . . . 22.08 114.044 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -144.89 120.7 10.57 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.12 -0.326 . . . . 19.82 110.12 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.453 HG22 ' HG3' ' A' ' 1' ' ' MET . 20.6 m -74.85 -84.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.73 0.3 . . . . 18.37 110.753 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG3' HG22 ' A' ' 0' ' ' THR . 66.2 mtt -145.84 165.23 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.761 -0.459 . . . . 17.23 109.761 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.25 143.37 48.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.76 -0.459 . . . . 14.96 109.76 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m 68.95 105.95 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.739 0.649 . . . . 14.83 110.464 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.401 ' HB2' HE22 ' A' ' 83' ' ' GLN . 66.8 m -88.91 5.78 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.356 0.502 . . . . 12.3 112.356 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.82 62.06 4.57 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 111.058 -0.817 . . . . 10.54 111.058 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -51.93 135.12 31.02 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 8.98 111.963 -171.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.7 mt -82.73 48.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.408 -0.815 . . . . 9.0 111.041 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 t -98.11 12.61 33.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 5.9 109.644 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m 57.67 61.15 2.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.574 -0.739 . . . . 4.74 110.796 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . -112.84 130.26 56.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.662 -0.699 . . . . 1.97 109.841 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 68.6 m -95.82 105.25 17.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.457 0.646 . . . . 1.22 110.969 -177.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.0 p-90 -99.68 153.73 18.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.27 -0.877 . . . . 0.4 109.753 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 115.64 21.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.673 0.749 . . . . 2.4 111.309 -174.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.8 tp -115.4 116.56 28.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.151 -0.931 . . . . 0.76 109.329 176.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 5.6 p -85.18 119.85 34.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.329 0.585 . . . . 0.96 110.284 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.45 122.86 70.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.654 -0.703 . . . . 0.31 109.826 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HB2' HD12 ' A' ' 89' ' ' LEU . 70.8 mtp180 -89.96 115.38 27.22 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.862 -0.421 . . . . 3.03 109.862 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 43.5 t -88.32 116.44 30.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.051 0.453 . . . . 0.46 111.12 -177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.828 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 23.1 t70 -102.12 120.33 40.27 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.502 -0.772 . . . . 0.89 109.731 177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -85.12 116.5 23.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.968 -0.753 . . . . 0.99 108.968 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.98 105.08 0.08 Allowed 'General case' 0 C--O 1.236 0.365 0 O-C-N 124.083 0.865 . . . . 1.79 112.721 -171.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.88 35.8 25.17 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.354 -0.839 . . . . 4.01 110.326 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.32 -115.19 1.64 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.462 -0.875 . . . . 2.95 112.44 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -71.06 170.76 12.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.813 0.34 . . . . 6.14 110.768 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -75.39 171.7 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.217 -0.447 . . . . 3.74 110.499 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 82.0 mt-30 -77.95 129.8 35.77 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.096 -0.502 . . . . 1.75 110.064 -179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 20.2 m -105.78 138.24 42.3 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.66 110.333 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.0 mp0 -97.14 103.15 15.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.034 0.445 . . . . 2.34 109.919 -177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.0 mm -112.97 109.73 29.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.907 -0.588 . . . . 0.44 110.436 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.619 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.2 m -91.66 113.23 25.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.51 109.541 177.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 45' ' ' LYS . 91.1 mt -110.53 144.33 39.53 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.252 -0.431 . . . . 0.52 110.344 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB2' ' HB3' ' A' ' 11' ' ' SER . 21.5 ptt180 -92.74 110.01 21.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.936 -0.764 . . . . 3.71 108.936 174.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 11' ' ' SER . 18.5 m -123.5 158.62 28.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.329 -0.85 . . . . 0.43 110.768 -173.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 11.4 m -106.06 157.19 17.71 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.256 -0.429 . . . . 1.52 110.156 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 -18.35 73.13 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.695 -0.764 . . . . 0.49 111.366 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.33 -21.03 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.14 -0.53 . . . . 2.21 110.417 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.3 tp -75.54 143.17 42.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.819 -0.628 . . . . 0.3 109.998 -178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 39.9 p-80 -92.22 156.65 17.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.203 -0.295 . . . . 0.44 110.203 177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.576 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 16.8 mm -54.64 -39.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.767 0.427 . . . . 0.26 112.15 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.27 68.45 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 121.06 -0.591 . . . . 0.27 112.24 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -74.84 -32.63 56.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.936 -0.649 . . . . 0.37 111.538 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 77' ' ' LEU . 32.7 t -65.04 -44.25 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.64 -0.504 . . . . 0.31 109.64 176.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.485 ' HE3' HG22 ' A' ' 73' ' ' THR . 63.9 mtt -54.34 -49.45 69.71 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.822 -0.626 . . . . 1.26 110.288 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -55.24 -44.75 75.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.991 -1.004 . . . . 1.02 110.988 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 31' ' ' LEU . 65.8 mttm -64.11 -38.28 90.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.37 -0.377 . . . . 1.22 111.948 -177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 18' ' ' VAL . 2.9 mm? -61.89 -44.8 96.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.96 110.521 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -67.0 -41.3 87.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.42 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.2 -48.35 76.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.826 -0.625 . . . . 2.36 111.291 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HA ' ' OE1' ' A' ' 49' ' ' GLN . 6.5 tp60 -61.02 -53.76 53.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 1.34 111.65 -173.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.462 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 46.1 mtm -70.82 -30.69 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.85 0.357 . . . . 1.03 110.09 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 53.45 81.06 0.1 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.256 -0.884 . . . . 1.95 110.666 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.2 mt -130.26 114.99 30.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.476 -0.783 . . . . 1.56 110.33 -176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.96 88.57 6.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 2.71 110.798 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -141.28 173.21 11.71 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.744 -0.836 . . . . 3.75 108.744 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.98 109.81 15.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.614 0.721 . . . . 2.95 109.923 177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -91.36 71.58 6.09 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.657 -0.701 . . . . 2.18 109.467 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.9 t -72.06 103.16 3.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.389 -0.823 . . . . 2.67 111.022 -177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.512 ' HB3' ' CG ' ' A' ' 93' ' ' GLN . 1.7 m-20 60.41 81.85 0.17 Allowed 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.433 -0.803 . . . . 2.77 111.642 176.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.725 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 25.1 p90 -101.65 142.29 33.22 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.367 -0.379 . . . . 4.26 110.399 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 43' ' ' MET . . . -155.08 167.2 31.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.327 . . . . 0.66 111.173 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.77 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.4 mm? -93.01 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 1.22 110.819 178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 32.9 t-105 -111.9 112.39 24.01 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.464 -0.789 . . . . 0.56 109.358 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.566 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.7 t90 -82.97 110.26 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.586 -0.894 . . . . 0.35 108.586 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -68.68 -41.17 79.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.67 0.271 . . . . 2.31 111.601 -173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.78 -17.72 64.08 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.955 0.354 . . . . 1.69 111.955 -176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -110.72 -25.15 10.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.73 0.3 . . . . 1.1 110.649 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 59.37 72.72 0.51 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.528 -0.76 . . . . 3.52 109.757 -171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -159.12 150.09 19.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.47 -0.786 . . . . 1.59 110.147 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -96.42 124.74 40.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.618 -0.512 . . . . 0.57 109.618 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.5 mm? -77.09 104.84 7.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.61 109.846 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.7 mt -107.26 -15.91 14.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.359 -0.382 . . . . 0.73 111.382 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.714 ' HD3' ' H ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -78.83 75.5 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 122.109 0.956 . . . . 1.95 109.454 173.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 59.4 p -68.16 -34.22 75.91 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.663 -1.153 . . . . 0.64 111.905 -173.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.414 ' CD2' ' HD1' ' A' ' 75' ' ' TRP . 8.6 p-80 -83.85 -0.14 49.96 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.898 -0.321 . . . . 2.94 111.499 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' HD1' ' CD2' ' A' ' 74' ' ' HIS . 21.3 m0 -84.8 137.68 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.096 -0.705 . . . . 0.76 109.096 173.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.852 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 78.1 p -73.83 163.34 28.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.38 110.752 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.2 mp -57.88 -41.32 82.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.976 -0.556 . . . . 0.62 110.85 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.6 -37.6 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.372 . . . . 1.49 110.593 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -62.86 -34.49 77.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.527 . . . . 1.69 110.619 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.8 m -79.73 -42.93 23.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.152 -0.476 . . . . 0.94 110.679 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.42 -1.91 32.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.35 112.321 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 86' ' ' ALA . 2.2 p -79.03 113.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.242 0.544 . . . . 0.33 110.442 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.401 HE22 ' HB2' ' A' ' 4' ' ' SER . 25.1 mt-30 -112.22 -169.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.797 -0.638 . . . . 2.37 110.859 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.98 44.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.552 0.575 . . . . 0.88 112.552 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.03 -1.8 48.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.803 0.335 . . . . 2.14 110.796 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -91.25 136.84 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.988 0.423 . . . . 0.48 111.419 -176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -84.7 114.97 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.912 -0.773 . . . . 1.92 108.912 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.77 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.0 tp -121.86 128.08 51.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.241 0.543 . . . . 0.35 111.335 -172.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 17' ' ' ARG . 14.4 tp -109.23 143.57 38.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.584 -0.735 . . . . 0.39 109.064 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 33.9 t80 -120.82 108.57 14.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.052 0.453 . . . . 0.4 110.317 177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.828 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.32 147.23 39.42 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.966 -0.753 . . . . 0.6 108.966 177.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.725 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 78.1 Cg_exo -51.48 139.56 46.2 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.112 1.875 . . . . 1.04 111.479 173.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.512 ' CG ' ' HB3' ' A' ' 58' ' ' ASP . 24.3 pt20 -72.75 78.23 1.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.128 0.966 . . . . 1.46 110.319 -178.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -100.96 10.2 41.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.809 -1.087 . . . . 4.6 109.97 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? 69.22 142.5 0.04 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 114.996 -1.002 . . . . 6.92 111.992 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 85.8 mtp . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.551 -0.749 . . . . 8.34 109.709 175.297 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.081 -0.408 . . . . 26.14 112.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.477 HG13 ' HA ' ' A' ' 2' ' ' LEU . 47.2 mm 65.74 90.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.368 0.604 . . . . 24.82 111.395 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.694 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 35.2 m-20 -114.78 -56.53 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.953 -0.567 . . . . 23.21 111.34 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.694 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 4.1 Cg_exo -77.52 -3.55 13.74 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.318 2.012 . . . . 22.08 111.737 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.445 ' HB2' HG23 ' A' ' -4' ' ' ILE . 75.0 m-85 -115.63 179.22 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.542 -0.754 . . . . 19.82 109.846 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 28.1 p -122.0 163.61 19.07 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.087 -0.506 . . . . 18.37 110.384 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtm 65.66 88.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.755 0.66 . . . . 17.23 111.639 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.477 ' HA ' HG13 ' A' ' -4' ' ' ILE . 60.5 tp -73.82 -47.68 36.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 14.96 109.311 172.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m 49.49 68.73 0.68 Allowed 'General case' 0 C--O 1.234 0.262 0 O-C-N 124.087 0.867 . . . . 14.83 111.41 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -73.27 -20.56 60.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 12.3 110.928 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.78 -162.81 24.37 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.828 -0.701 . . . . 10.54 112.713 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.2 -35.5 11.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.71 0.29 . . . . 8.98 110.485 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.1 mt 72.11 -61.85 0.48 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.481 -0.781 . . . . 9.0 111.561 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 m -80.52 32.32 0.29 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.652 0.739 . . . . 5.9 111.499 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -132.59 14.36 4.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.642 -0.708 . . . . 4.74 109.473 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.03 -170.13 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.446 -0.797 . . . . 1.97 109.852 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 12.1 m -83.52 94.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.402 0.62 . . . . 1.22 110.269 176.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 9.2 p-90 -79.9 144.69 33.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.139 -0.937 . . . . 0.4 110.377 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -74.88 105.67 6.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.998 -0.547 . . . . 2.4 111.503 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 59.5 tp -100.16 117.84 35.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.601 -0.727 . . . . 0.76 109.741 176.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 p -88.77 118.73 34.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.553 0.692 . . . . 0.96 110.113 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.8 t -116.05 123.69 71.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.238 -0.892 . . . . 0.31 109.124 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 89' ' ' LEU . 57.0 ttt180 -93.99 118.77 31.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.696 -0.483 . . . . 3.03 109.696 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG13 ' HD2' ' A' ' 90' ' ' PHE . 37.0 t -85.42 121.62 37.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.256 -0.429 . . . . 0.46 110.577 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.864 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 22.9 t70 -97.12 124.82 41.26 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.915 -0.772 . . . . 0.89 108.915 176.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.481 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 17.1 m-70 -102.5 100.9 11.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.326 -0.397 . . . . 0.99 111.675 -169.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.95 94.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.218 -0.66 . . . . 1.79 109.218 172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 44.8 t-20 -179.92 -37.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 4.01 109.307 -169.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.38 31.31 3.29 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.427 -0.669 . . . . 2.95 111.427 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HG2' ' HB3' ' A' ' 22' ' ' ASN . 9.9 pt-20 -126.09 178.03 6.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.726 0.298 . . . . 6.14 110.629 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -68.26 156.37 37.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.073 -0.512 . . . . 3.74 111.822 -174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -87.41 153.9 21.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.612 . . . . 1.75 109.349 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.6 m -121.2 130.74 53.85 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.594 -0.275 . . . . 0.66 110.84 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.49 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.47 -0.567 . . . . 2.34 109.47 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.438 HG22 ' HG ' ' A' ' 31' ' ' LEU . 46.6 mm -101.65 123.86 55.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.83 -0.623 . . . . 0.44 111.254 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -97.94 107.08 19.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.019 -0.537 . . . . 0.51 109.974 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' HG ' HG22 ' A' ' 29' ' ' ILE . 90.5 mt -107.12 133.8 51.19 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.214 -0.448 . . . . 0.52 110.187 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -91.82 108.47 19.94 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.691 -0.855 . . . . 3.71 108.691 174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' SER . 28.1 m -127.35 146.37 33.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 CA-C-N 115.462 -0.79 . . . . 0.43 111.29 -172.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.6 m -92.73 154.15 18.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.747 -0.66 . . . . 1.52 109.302 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -58.78 -26.62 60.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.084 -0.579 . . . . 0.49 112.98 -176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.31 15.06 14.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.694 0.283 . . . . 2.21 111.763 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 tp -85.76 126.59 34.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.603 -0.518 . . . . 0.3 109.603 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.4 p-80 -76.17 146.74 38.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.043 -0.526 . . . . 0.44 111.116 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 HG21 ' HB3' ' A' ' 70' ' ' LEU . 16.6 mm -52.22 -43.21 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 123.382 0.673 . . . . 0.26 112.191 -176.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.82 -28.56 60.6 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.766 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -79.57 -37.22 24.16 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.383 -0.687 . . . . 0.37 111.383 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.19 -43.29 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.549 -0.538 . . . . 0.31 109.549 176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.459 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 73.0 mtp -54.01 -41.87 68.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.359 -0.837 . . . . 1.26 111.544 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -68.34 -36.58 79.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.319 -0.4 . . . . 1.02 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.608 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.2 mttt -65.66 -32.4 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.248 -176.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 46' ' ' LEU . 3.4 mm? -59.0 -52.34 66.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.37 . . . . 0.96 110.157 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.52 -41.53 82.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.65 110.79 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.89 -32.13 73.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.855 -0.611 . . . . 2.36 111.591 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 15.2 mm100 -66.57 -54.15 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 1.34 111.782 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.586 ' HB3' HG13 ' A' ' 52' ' ' ILE . 3.8 mpp? -77.02 -43.51 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.027 -0.269 . . . . 1.03 111.02 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.0 t30 55.44 41.66 30.74 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.441 0.639 . . . . 1.95 110.956 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.586 HG13 ' HB3' ' A' ' 50' ' ' MET . 61.9 mt -80.26 129.15 38.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.431 -0.581 . . . . 1.56 109.431 176.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.06 83.7 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 2.71 111.927 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -152.64 174.08 14.42 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.809 -0.632 . . . . 3.75 109.456 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -76.33 104.61 6.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 2.95 111.235 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -96.68 35.43 1.52 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.102 -0.703 . . . . 2.18 109.102 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.8 m -68.25 -39.27 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 2.67 110.493 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -103.64 103.24 13.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 2.77 109.765 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 1.4 p90 -155.85 147.56 23.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.88 -0.6 . . . . 4.26 110.628 -176.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.15 170.91 7.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.66 110.281 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.797 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.0 mm? -91.98 125.81 36.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.043 0.449 . . . . 1.22 111.117 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.405 ' HD1' ' HB3' ' A' ' 89' ' ' LEU . 41.6 t-105 -102.99 111.2 23.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.56 109.573 175.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -82.79 108.63 16.28 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.098 -1.075 . . . . 0.35 108.098 177.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.75 -35.61 75.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.439 -171.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 91.9 mt-30 -68.02 -45.78 73.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.08 -0.509 . . . . 1.69 111.678 -177.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 70.9 mmtt -96.09 -1.52 48.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.059 -0.256 . . . . 1.1 111.156 -175.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 54.14 53.17 11.45 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.024 -0.534 . . . . 3.52 110.828 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.6 p -142.24 148.07 37.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.391 . . . . 1.59 111.272 -175.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.9 132.49 43.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.074 -0.512 . . . . 0.57 109.793 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.5 mm? -82.63 103.19 11.97 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.173 -0.677 . . . . 0.61 109.173 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.9 mt -115.22 -11.6 11.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.008 -0.542 . . . . 0.73 110.924 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -76.86 79.49 3.44 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.631 -0.877 . . . . 1.95 108.631 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.422 HG22 ' SD ' ' A' ' 43' ' ' MET . 18.8 p -67.54 -19.52 65.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.372 -0.831 . . . . 0.64 112.54 -172.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -86.01 -17.42 35.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 2.94 110.494 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -77.0 149.23 35.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.386 -0.37 . . . . 0.76 110.221 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 60.0 p -95.0 174.29 7.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.251 -0.431 . . . . 0.38 110.77 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -41.63 90.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.17 0.51 . . . . 0.62 109.646 173.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.73 -37.41 86.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.128 -0.942 . . . . 1.49 111.083 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -69.1 -42.6 75.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 1.69 110.627 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.37 -34.89 63.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.94 111.065 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 95.47 20.88 25.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.774 -0.727 . . . . 0.35 112.525 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.36 127.4 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.33 110.58 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -109.7 -179.62 3.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.766 -0.652 . . . . 2.37 110.104 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.51 -23.18 66.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.088 0.471 . . . . 0.88 110.962 177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -83.61 19.76 1.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.779 -0.646 . . . . 2.14 111.074 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.04 136.4 49.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.891 0.377 . . . . 0.48 111.077 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 2.8 m-20 -71.91 96.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 1.92 109.58 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.797 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.4 tp -110.77 116.21 30.88 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.172 0.511 . . . . 0.35 110.166 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.3 tp -108.02 130.21 55.08 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.466 -0.788 . . . . 0.39 109.28 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.659 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 63.1 t80 -103.27 107.62 18.52 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.462 -0.57 . . . . 0.4 109.462 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.864 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -144.32 151.36 51.09 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.129 -0.487 . . . . 0.6 110.212 -176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.12 144.59 89.79 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.733 2.288 . . . . 1.04 111.789 172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -96.91 -2.64 43.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 1.46 111.224 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -122.16 154.93 36.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 4.6 110.657 176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 59.65 77.74 0.3 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.9 0.75 . . . . 6.92 111.293 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.19 -0.914 . . . . 8.34 109.68 179.778 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.792 -0.523 . . . . 26.14 111.792 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 25.0 pt -58.26 131.6 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.343 . . . . 24.82 110.608 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -136.89 125.14 14.8 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.4 -0.363 . . . . 23.21 110.555 -177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.98 144.38 94.5 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.897 2.398 . . . . 22.08 112.163 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -94.47 177.06 6.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.19 -0.459 . . . . 19.82 110.491 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 20.0 m -78.22 105.03 9.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.076 0.465 . . . . 18.37 110.193 178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp -97.43 161.54 13.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.077 -0.511 . . . . 17.23 110.717 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.0 mt 62.04 23.71 14.02 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.943 -0.572 . . . . 14.96 112.242 174.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -163.24 76.28 0.4 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.239 0.542 . . . . 14.83 110.15 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.1 m -152.13 53.35 0.8 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.965 -0.561 . . . . 12.3 110.616 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.38 43.48 62.08 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.731 -0.747 . . . . 10.54 111.535 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.58 -31.92 67.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 8.98 111.064 -175.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.9 pp -132.47 147.12 52.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.981 0.42 . . . . 9.0 111.21 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m -85.5 68.59 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.849 -0.614 . . . . 5.9 110.325 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 m 66.57 -70.93 0.1 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.382 -0.826 . . . . 4.74 111.164 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.06 158.26 5.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.605 -0.517 . . . . 1.97 109.605 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 t -139.47 127.54 22.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.466 0.651 . . . . 1.22 109.479 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 17.6 p-90 -148.05 159.91 43.41 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.825 -1.08 . . . . 0.4 110.215 -172.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -91.17 115.36 27.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.172 0.51 . . . . 2.4 110.606 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 55.8 tp -94.72 125.23 39.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.36 -0.836 . . . . 0.76 110.054 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 p -93.36 119.48 41.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.493 0.663 . . . . 0.96 109.837 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 46' ' ' LEU . 61.9 t -122.58 127.03 74.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.717 -0.674 . . . . 0.31 109.755 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 89' ' ' LEU . 77.8 mtp180 -95.96 120.05 35.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.318 -0.623 . . . . 3.03 109.318 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG11 ' HE1' ' A' ' 50' ' ' MET . 54.9 t -90.89 130.95 39.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.883 -0.598 . . . . 0.46 111.329 -175.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.616 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 14.4 t70 -97.75 131.18 44.51 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.727 -0.842 . . . . 0.89 108.727 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 -109.18 130.45 55.49 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.833 -0.347 . . . . 0.99 110.897 -176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.02 -8.56 58.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.382 0.61 . . . . 1.79 110.086 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -86.15 -62.42 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.307 -0.86 . . . . 4.01 109.623 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.06 -148.44 23.42 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.709 -0.758 . . . . 2.95 111.429 174.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -149.72 5.71 0.61 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.827 0.306 . . . . 6.14 111.827 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.51 127.6 48.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 110.035 -0.357 . . . . 3.74 110.035 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.36 132.29 48.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.116 -0.493 . . . . 1.75 110.205 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 27.4 m -99.25 135.51 40.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.039 178.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 5.5 mp0 -97.31 109.0 21.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 2.34 110.425 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.621 HG23 ' HG2' ' A' ' 49' ' ' GLN . 46.5 mm -106.64 136.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.498 -0.774 . . . . 0.44 110.202 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m -120.21 105.34 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.035 0.445 . . . . 0.51 110.133 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 49' ' ' GLN . 94.8 mt -110.57 144.64 39.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.884 -0.598 . . . . 0.52 110.828 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -92.57 109.29 20.7 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.017 -0.735 . . . . 3.71 109.017 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 m -116.86 147.48 20.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.097 0.475 . . . . 0.43 111.155 -173.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.4 m -99.52 157.94 16.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.69 -0.686 . . . . 1.52 109.94 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.6 -25.85 63.87 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.128 -0.558 . . . . 0.49 112.34 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -99.96 22.43 11.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.417 0.627 . . . . 2.21 110.541 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.9 tp -97.71 121.04 39.15 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.624 -0.51 . . . . 0.3 109.624 174.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 56.3 p-80 -77.24 149.94 35.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 0.44 111.413 -176.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 75' ' ' TRP . 15.5 mm -53.81 -40.1 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 115.737 -0.665 . . . . 0.26 111.886 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.8 -31.28 60.75 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.156 -0.545 . . . . 0.27 112.598 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.43 -38.21 29.34 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.273 -0.731 . . . . 0.37 111.273 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.91 -42.35 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.631 -0.507 . . . . 0.31 109.631 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.424 ' SD ' HG22 ' A' ' 73' ' ' THR . 74.3 mtp -52.4 -50.56 62.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.697 -0.683 . . . . 1.26 111.326 177.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.8 tp -67.35 -37.85 83.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 1.02 110.879 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 36.9 mttp -66.75 -30.68 70.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 1.22 111.809 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.1 mm? -58.17 -48.68 79.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.175 0.512 . . . . 0.96 109.945 173.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.98 -41.37 89.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.65 110.319 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 34.3 tt0 -60.28 -45.26 93.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 2.36 111.525 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' HG2' HG23 ' A' ' 29' ' ' ILE . 8.5 tp-100 -64.7 -38.37 90.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.888 -0.597 . . . . 1.34 111.152 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HE1' HG11 ' A' ' 18' ' ' VAL . 68.9 mtm -79.42 -36.98 38.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.476 -0.329 . . . . 1.03 111.062 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 58.28 41.2 23.72 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.718 0.77 . . . . 1.95 109.733 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.4 mt -102.63 118.38 49.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-N 115.482 -0.781 . . . . 1.56 110.231 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.64 71.9 8.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.977 -0.556 . . . . 2.71 111.458 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -112.13 179.95 3.85 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.392 -0.966 . . . . 3.75 108.392 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -88.29 91.46 8.8 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.447 -0.501 . . . . 2.95 110.468 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 59' ' ' TYR . 92.2 m95 -77.86 -67.92 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.927 -0.579 . . . . 2.18 109.996 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.1 m 64.74 -68.75 0.1 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.932 0.77 . . . . 2.67 112.496 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -109.01 35.14 3.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.228 0.537 . . . . 2.77 110.299 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 30.2 p90 -64.01 132.87 51.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.478 -0.783 . . . . 4.26 110.36 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.59 174.79 14.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.745 0.307 . . . . 0.66 110.702 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.9 mm? -94.38 133.35 38.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.254 0.549 . . . . 1.22 111.09 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -110.58 110.66 21.45 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.255 -0.884 . . . . 0.56 109.166 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.82 108.74 16.38 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.888 -1.153 . . . . 0.35 107.888 176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -67.64 -40.07 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.087 0.47 . . . . 2.31 110.925 -172.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.31 -23.14 64.7 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.808 -0.633 . . . . 1.69 111.491 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -104.81 -13.92 15.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.556 -0.293 . . . . 1.1 110.924 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 57.05 41.78 26.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.316 0.579 . . . . 3.52 110.154 -176.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -131.38 149.3 52.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.339 -0.846 . . . . 1.59 110.868 -174.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.412 ' CZ3' ' HB3' ' A' ' 93' ' ' GLN . 88.7 m95 -95.7 135.75 36.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.235 -0.654 . . . . 0.57 109.235 176.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.78 104.26 13.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.001 0.429 . . . . 0.61 110.145 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.9 mt -111.49 -1.37 15.9 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.757 -0.656 . . . . 0.73 109.528 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HD3' ' CE3' ' A' ' 75' ' ' TRP . 51.1 mttp -80.31 69.46 6.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.181 -0.918 . . . . 1.95 109.273 174.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.424 HG22 ' SD ' ' A' ' 43' ' ' MET . 34.0 p -65.19 -31.37 72.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.089 -0.96 . . . . 0.64 111.88 -173.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -85.33 -11.47 54.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 2.94 110.623 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.456 ' CE3' ' HD3' ' A' ' 72' ' ' LYS . 15.6 m0 -85.72 151.81 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.088 -0.505 . . . . 0.76 109.887 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.5 p -94.23 175.9 6.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.628 -0.26 . . . . 0.38 111.088 -176.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -48.21 82.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.155 0.503 . . . . 0.62 109.884 175.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.48 -39.38 94.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.455 -0.793 . . . . 1.49 110.663 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 58.6 tptt -67.03 -39.23 86.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.867 -0.606 . . . . 1.69 111.262 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.83 -37.18 56.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.94 111.136 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.67 5.76 41.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.35 112.665 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -92.38 131.68 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.957 0.408 . . . . 0.33 110.449 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -126.56 -175.54 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.618 . . . . 2.37 110.268 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.0 65.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.002 0.43 . . . . 0.88 111.578 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -79.93 -16.23 55.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 2.14 111.197 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.31 137.33 32.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.448 -0.342 . . . . 0.48 111.453 -173.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -74.79 107.94 7.21 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.072 -0.513 . . . . 1.92 110.049 176.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.682 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.9 tp -113.71 125.81 54.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.007 -0.542 . . . . 0.35 110.507 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' ARG . 21.4 tp -104.99 137.62 42.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.774 -0.648 . . . . 0.39 109.532 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 61.3 t80 -109.22 109.7 20.71 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.524 -0.47 . . . . 0.4 109.882 176.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 6.5 t -142.67 142.14 22.13 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.262 -0.427 . . . . 0.6 110.447 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.651 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 55.9 Cg_endo -72.87 134.47 21.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.202 1.935 . . . . 1.04 111.804 174.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 69' ' ' TRP . 9.6 pt20 -96.66 77.66 2.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.44 0.638 . . . . 1.46 109.846 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -81.75 0.24 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.038 -0.528 . . . . 4.6 111.685 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -146.61 101.94 3.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.851 0.357 . . . . 6.92 110.753 -176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.187 -0.911 . . . . 8.34 109.781 177.712 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.459 -0.656 . . . . 26.14 111.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 40.0 pt -133.85 152.67 35.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.974 0.416 . . . . 24.82 111.074 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.31 123.74 25.18 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.78 -0.822 . . . . 23.21 108.78 171.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.39 108.12 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.01 2.473 . . . . 22.08 112.873 -176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -121.76 111.82 17.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.638 -0.71 . . . . 19.82 109.416 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 14.4 m -142.11 -77.32 0.27 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.626 -0.261 . . . . 18.37 111.039 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt 66.54 -66.18 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.571 0.748 . . . . 17.23 111.817 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -123.38 99.29 6.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.857 -0.423 . . . . 14.96 109.857 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -127.02 111.59 14.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.026 -0.534 . . . . 14.83 109.593 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 t -153.78 141.19 19.7 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.231 -0.441 . . . . 12.3 109.895 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.3 9.21 64.97 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.036 -0.602 . . . . 10.54 111.669 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.11 117.68 6.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.721 0.296 . . . . 8.98 110.519 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.2 mt -115.67 29.72 7.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.453 -0.34 . . . . 9.0 110.845 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -62.74 -34.15 76.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.184 0.516 . . . . 5.9 110.315 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -74.58 98.13 3.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.653 -0.703 . . . . 4.74 110.24 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.41 77.9 9.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.468 . . . . 1.97 110.302 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 t -110.31 120.58 42.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.464 0.65 . . . . 1.22 110.124 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.582 ' CH2' HD23 ' A' ' 77' ' ' LEU . 5.4 p-90 -131.26 148.05 52.65 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.866 -1.061 . . . . 0.4 109.613 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HB2' HG22 ' A' ' 30' ' ' THR . 12.3 pt-20 -88.55 122.82 32.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.559 0.695 . . . . 2.4 110.543 -177.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD13 ' HA ' ' A' ' 84' ' ' ALA . 65.1 tp -111.86 118.0 34.34 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.081 -0.963 . . . . 0.76 110.146 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' HG3' ' A' ' 28' ' ' GLU . 3.0 p -82.4 119.09 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.428 0.632 . . . . 0.96 109.981 174.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.605 ' HB ' HD21 ' A' ' 46' ' ' LEU . 41.1 t -106.16 122.23 59.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.2 -0.667 . . . . 0.31 109.2 175.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.3 mpt_? -81.68 111.32 17.84 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.147 -0.686 . . . . 3.03 109.147 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.547 ' HB ' ' HB ' ' A' ' 27' ' ' THR . 42.6 t -94.9 113.29 29.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 120.902 0.382 . . . . 0.46 110.966 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.65 125.36 41.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.965 -0.561 . . . . 0.89 109.553 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -100.89 76.02 1.74 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.224 -0.59 . . . . 0.99 110.323 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 42.6 38.67 1.35 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.931 -1.031 . . . . 1.79 113.697 174.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 HD21 ' HB2' ' A' ' 25' ' ' GLN . 33.5 p30 -155.03 -26.5 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.411 0.893 . . . . 4.01 113.411 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.62 -38.13 3.03 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.794 -0.717 . . . . 2.95 112.637 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.09 -28.03 61.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 6.14 111.602 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB2' HD21 ' A' ' 22' ' ' ASN . 72.2 mt-30 -110.63 93.04 4.29 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.897 -0.592 . . . . 3.74 110.381 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -113.29 112.17 23.27 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.301 -0.863 . . . . 1.75 109.699 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.547 ' HB ' ' HB ' ' A' ' 18' ' ' VAL . 21.6 m -86.74 141.56 28.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.535 -0.757 . . . . 0.66 110.902 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.661 ' HG3' HG23 ' A' ' 15' ' ' VAL . 21.7 tt0 -98.65 110.66 23.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.027 0.442 . . . . 2.34 109.845 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.46 104.37 16.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.808 -0.633 . . . . 0.44 109.324 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 6.7 m -96.09 107.06 19.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.777 -0.647 . . . . 0.51 109.899 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.1 mt -100.99 143.88 30.6 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.071 -0.513 . . . . 0.52 110.368 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 tpt180 -92.44 108.2 19.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.599 -1.26 . . . . 3.71 107.599 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.8 m -131.24 164.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.225 0.536 . . . . 0.43 111.85 -167.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -126.91 157.21 40.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.337 -0.847 . . . . 1.52 109.743 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.66 ' HA3' ' OD2' ' A' ' 78' ' ' ASP . . . -61.87 -19.39 58.63 Favored Glycine 0 N--CA 1.454 -0.149 0 C-N-CA 121.151 -0.547 . . . . 0.49 113.562 -176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.75 -3.92 55.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.681 0.276 . . . . 2.21 111.311 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 77' ' ' LEU . 54.3 tp -83.63 139.09 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.681 -0.489 . . . . 0.3 109.681 176.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 45.6 p-80 -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.78 0.324 . . . . 0.44 111.115 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 HG21 ' HB3' ' A' ' 70' ' ' LEU . 20.0 mm -54.11 -41.78 52.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.561 -0.745 . . . . 0.26 112.593 -175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.55 -31.11 66.3 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.992 -0.623 . . . . 0.27 112.349 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.42 -40.76 47.25 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.266 -0.733 . . . . 0.37 111.266 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 77' ' ' LEU . 41.4 t -61.32 -44.78 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.995 0.426 . . . . 0.31 109.983 177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.642 ' HA ' HD12 ' A' ' 46' ' ' LEU . 64.0 mtp -60.23 -39.44 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.485 -0.779 . . . . 1.26 110.941 178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -71.25 -43.31 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.018 -0.537 . . . . 1.02 110.787 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -62.77 -28.52 70.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 1.22 111.192 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 43' ' ' MET . 42.7 mt -62.27 -51.67 66.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.339 -0.391 . . . . 0.96 110.897 176.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.54 -39.08 83.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.65 110.262 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -60.7 -43.59 97.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.803 -0.635 . . . . 2.36 110.608 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.19 -46.65 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.828 -0.624 . . . . 1.34 110.537 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.541 ' HB3' HG13 ' A' ' 52' ' ' ILE . 73.6 mtm -66.92 -37.67 84.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.055 -0.521 . . . . 1.03 110.763 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.9 t30 65.36 23.09 12.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.655 0.741 . . . . 1.95 110.102 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.541 HG13 ' HB3' ' A' ' 50' ' ' MET . 75.9 mt -82.66 109.88 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.431 -0.804 . . . . 1.56 110.439 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.02 87.79 7.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.471 . . . . 2.71 110.945 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 52' ' ' ILE . 15.8 mm100 -124.09 179.55 4.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.757 -0.656 . . . . 3.75 109.643 177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -78.79 83.49 4.93 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.477 . . . . 2.95 110.537 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -87.19 65.0 8.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 2.18 109.647 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.3 m -69.77 -50.79 39.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.126 -0.488 . . . . 2.67 110.605 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -94.41 -83.41 0.34 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.031 -0.532 . . . . 2.77 111.359 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 5.5 p90 54.89 130.56 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.204 1.402 . . . . 4.26 112.906 -177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.26 159.67 40.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.715 -0.675 . . . . 0.66 110.634 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 88' ' ' LEU . 22.3 tp -92.75 141.83 28.02 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.559 -0.534 . . . . 1.22 109.559 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -123.91 123.0 39.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.091 0.472 . . . . 0.56 110.633 -174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.447 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.4 t90 -89.08 110.46 21.18 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.108 -0.701 . . . . 0.35 109.108 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.89 -35.83 79.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 2.31 111.727 -171.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.748 ' HG3' ' HB2' ' A' ' 87' ' ' ASN . 24.2 mt-30 -84.84 3.48 37.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.57 -0.286 . . . . 1.69 111.712 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.7 -30.53 2.53 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.151 -0.22 . . . . 1.1 111.495 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 64.87 80.32 0.23 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.287 0.565 . . . . 3.52 110.291 -173.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -168.76 148.19 4.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.401 -0.818 . . . . 1.59 109.831 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -96.04 122.63 39.07 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.002 -0.74 . . . . 0.57 109.002 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.8 mm? -75.49 103.5 5.65 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.552 -0.536 . . . . 0.61 109.552 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 82.4 mt -108.16 -2.01 19.81 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.392 -0.966 . . . . 0.73 108.392 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 88.1 mttt -76.93 59.54 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.348 -1.296 . . . . 1.95 109.343 174.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.1 p -67.85 -25.46 65.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.64 111.374 -173.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -89.67 0.39 56.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.073 0.463 . . . . 2.94 110.688 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 72' ' ' LYS . 11.4 m0 -92.39 144.19 25.62 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.76 109.367 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 53.9 p -84.82 169.75 13.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.945 0.402 . . . . 0.38 111.222 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD11 HG21 ' A' ' 42' ' ' VAL . 4.9 mp -58.07 -48.84 78.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.245 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.66 ' OD2' ' HA3' ' A' ' 35' ' ' GLY . 1.9 m-20 -70.53 -30.01 66.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.493 -0.322 . . . . 1.49 110.945 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 56.0 tptt -64.55 -40.99 96.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.98 0.419 . . . . 1.69 110.401 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 61.4 m -79.14 -33.16 44.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.94 110.61 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.66 20.02 20.7 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.684 -0.769 . . . . 0.35 112.415 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.34 118.54 43.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.292 0.568 . . . . 0.33 110.576 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -105.93 -173.0 2.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.451 -0.795 . . . . 2.37 110.877 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.569 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -71.67 -30.25 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.964 0.411 . . . . 0.88 110.839 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.41 44.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.805 0.812 . . . . 2.14 109.867 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.54 127.6 37.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.302 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.748 ' HB2' ' HG3' ' A' ' 65' ' ' GLN . 5.1 m-20 -65.21 110.85 2.71 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.271 -0.422 . . . . 1.92 110.016 177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.606 HD21 HD21 ' A' ' 61' ' ' LEU . 20.5 tp -123.79 127.04 47.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.48 -174.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 17' ' ' ARG . 25.3 tp -115.47 148.51 39.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.653 -0.703 . . . . 0.39 109.698 -177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -125.97 110.83 14.05 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.247 -0.649 . . . . 0.4 109.247 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -141.52 140.3 20.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 115.986 -0.552 . . . . 0.6 110.13 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.56 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 34.5 Cg_endo -65.79 132.62 31.1 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.243 1.962 . . . . 1.04 111.621 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.21 31.34 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.418 0.628 . . . . 1.46 110.267 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 92' ' ' PRO . 35.8 t-80 -79.15 53.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.157 -0.929 . . . . 4.6 110.209 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -117.55 28.15 8.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 122.05 0.928 . . . . 6.92 109.83 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 49.9 ttp . . . . . 0 C--O 1.25 1.118 0 CA-C-N 114.979 -1.009 . . . . 8.34 109.372 177.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.776 -0.53 . . . . 26.14 111.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 9.8 tp -123.12 -25.16 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.759 0.314 . . . . 24.82 110.982 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.795 ' HB3' ' HD3' ' A' ' -2' ' ' PRO . 26.4 t70 -71.44 -54.6 6.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 C-N-CA 120.934 -0.306 . . . . 23.21 110.777 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.795 ' HD3' ' HB3' ' A' ' -3' ' ' ASP . 3.2 Cg_exo -77.64 105.2 1.99 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.074 1.849 . . . . 22.08 110.782 172.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -105.7 162.58 13.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.184 -0.462 . . . . 19.82 110.551 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 28.2 m -70.58 116.37 10.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.146 -0.479 . . . . 18.37 109.814 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.44 158.95 16.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 17.23 110.459 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.81 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.8 pt? -79.67 43.31 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.302 -0.408 . . . . 14.96 111.831 -174.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -60.63 -35.63 76.66 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.287 -0.635 . . . . 14.83 109.287 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 t -134.14 82.91 2.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.371 -0.831 . . . . 12.3 108.989 170.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.64 44.12 0.47 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.724 -0.671 . . . . 10.54 111.744 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -159.52 -77.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.802 -0.444 . . . . 8.98 109.802 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.4 mt 57.41 22.88 8.38 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.716 -0.674 . . . . 9.0 111.931 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 m -116.04 -54.88 2.46 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 121.117 -0.233 . . . . 5.9 110.622 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 m 62.13 27.57 16.6 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.662 0.601 . . . . 4.74 111.154 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.12 154.82 19.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 1.97 111.073 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -103.19 125.07 49.7 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.179 -0.675 . . . . 1.22 109.179 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.682 ' CH2' HD23 ' A' ' 77' ' ' LEU . 3.8 p-90 -102.49 161.45 13.71 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.757 -0.656 . . . . 0.4 111.541 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -81.58 110.53 17.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.971 -0.559 . . . . 2.4 111.167 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 58.6 tp -104.21 119.59 39.29 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.117 -0.697 . . . . 0.76 109.117 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 p -92.22 119.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.616 0.722 . . . . 0.96 109.994 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.586 ' CG1' ' HB2' ' A' ' 90' ' ' PHE . 57.0 t -116.09 112.69 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.469 -0.787 . . . . 0.31 109.337 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.746 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 39.3 mtm180 -87.28 111.55 21.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.011 -0.54 . . . . 3.03 110.093 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.7 t -83.17 112.03 20.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.973 -0.558 . . . . 0.46 110.762 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.35 105.32 17.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.485 -0.78 . . . . 0.89 109.583 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -72.01 156.55 39.11 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.01 -0.541 . . . . 0.99 109.748 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.24 -50.18 30.57 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.525 0.516 . . . . 1.79 112.221 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -136.63 172.2 13.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.447 0.641 . . . . 4.01 110.451 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.64 -17.4 58.98 Favored Glycine 0 C--N 1.312 -0.758 0 CA-C-N 114.94 -1.027 . . . . 2.95 111.597 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 49.21 72.04 0.33 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.432 0.634 . . . . 6.14 111.312 -177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -136.3 98.83 3.94 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.511 -0.768 . . . . 3.74 109.507 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.98 96.08 9.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.14 0.495 . . . . 1.75 110.252 -178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' ARG . 26.6 m -78.41 128.04 33.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.54 -0.755 . . . . 0.66 110.286 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.746 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.4 mt-10 -97.7 101.1 12.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.164 0.506 . . . . 2.34 110.493 -176.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.4 mm -96.85 122.37 48.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.509 -0.768 . . . . 0.44 110.181 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m -100.0 102.92 14.42 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.168 -0.469 . . . . 0.51 109.905 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' HG ' HG22 ' A' ' 29' ' ' ILE . 91.0 mt -104.4 140.55 37.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.24 -0.436 . . . . 0.52 110.541 -178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 32' ' ' ARG . 37.8 ttp180 -95.61 107.9 20.13 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.937 -0.764 . . . . 3.71 108.937 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.4 159.39 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.874 -0.603 . . . . 0.43 111.406 -171.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 t -115.4 162.04 17.7 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.457 -0.571 . . . . 1.52 109.457 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -61.51 -25.83 65.69 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.401 -0.428 . . . . 0.49 114.167 -173.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.82 -7.08 50.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.181 0.491 . . . . 2.21 111.82 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.5 tp -79.03 137.03 37.37 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.498 -0.556 . . . . 0.3 109.498 176.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -85.55 150.11 24.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.178 -0.209 . . . . 0.44 110.594 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.766 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 15.6 mm -54.32 -38.8 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 122.941 0.497 . . . . 0.26 112.162 -174.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.63 -30.05 71.28 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.812 -0.709 . . . . 0.27 112.235 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.77 -35.44 54.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.209 -0.756 . . . . 0.37 111.209 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 77' ' ' LEU . 42.0 t -63.04 -45.55 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.54 -0.541 . . . . 0.31 109.54 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.754 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 52.6 ttm -54.1 -47.37 71.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.573 -0.739 . . . . 1.26 110.612 177.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 tp -63.9 -38.97 93.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.808 -0.633 . . . . 1.02 110.894 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.22 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.452 -0.34 . . . . 1.22 111.776 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.3 mm? -62.42 -46.84 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.96 110.269 174.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.97 -41.24 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.077 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -60.27 -38.34 83.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.48 -0.782 . . . . 2.36 111.399 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' HG23 ' A' ' 29' ' ' ILE . 9.0 tp-100 -72.5 -31.75 65.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.292 -0.413 . . . . 1.34 111.598 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.441 ' HE1' HG11 ' A' ' 18' ' ' VAL . 69.8 mtm -95.13 -35.34 11.93 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.845 -0.342 . . . . 1.03 111.709 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 m120 56.6 77.97 0.23 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.167 0.508 . . . . 1.95 111.202 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG22 ' HG2' ' A' ' 54' ' ' GLN . 9.6 mt -131.97 130.58 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.323 -0.621 . . . . 1.56 109.323 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.52 75.97 6.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.155 0.503 . . . . 2.71 110.66 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' HG22 ' A' ' 52' ' ' ILE . 14.7 mm100 -116.81 163.24 16.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.68 -0.691 . . . . 3.75 110.153 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -99.83 101.6 12.78 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.274 -1.009 . . . . 2.95 108.274 170.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 m95 -78.21 -20.17 52.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.614 -0.721 . . . . 2.18 110.795 -171.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 m 55.34 -97.56 0.07 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.004 0.742 . . . . 2.67 113.004 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' HG3' ' A' ' 93' ' ' GLN . 18.8 p-10 -113.8 22.04 14.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 2.77 110.478 -173.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' HD2' ' CE1' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -49.17 142.07 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.118 -0.946 . . . . 4.26 111.252 177.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -156.33 175.65 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 0.66 111.576 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 88' ' ' LEU . 2.3 mm? -91.77 142.14 27.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.923 -0.581 . . . . 1.22 110.998 179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.409 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 22.3 t-105 -118.75 118.93 32.92 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.492 -0.776 . . . . 0.56 109.089 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.527 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -82.19 110.22 17.19 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.093 -1.077 . . . . 0.35 108.093 178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.76 -36.62 80.82 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.575 -0.739 . . . . 2.31 111.543 -170.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -74.09 -31.03 62.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.998 -0.546 . . . . 1.69 111.741 -175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 74.9 mmtt -103.35 -11.19 18.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.309 -0.405 . . . . 1.1 110.776 -175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 58.6 mtp180 58.06 55.0 5.5 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.385 0.612 . . . . 3.52 110.558 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.0 p -145.73 151.58 38.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.601 -0.727 . . . . 1.59 110.566 -175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -94.48 132.52 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.35 -0.611 . . . . 0.57 109.35 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 63' ' ' TRP . 3.4 mm? -82.37 103.16 11.74 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.093 0.473 . . . . 0.61 109.747 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.2 mt -103.33 4.39 36.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.61 -0.885 . . . . 0.73 108.61 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 60.8 mttp -85.35 51.45 2.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.395 -1.275 . . . . 1.95 109.577 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.766 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 23.7 p -67.5 -27.46 67.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.64 111.464 -175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.17 -15.14 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.326 0.584 . . . . 2.94 110.156 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 8.9 m0 -87.0 151.64 23.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.769 -0.65 . . . . 0.76 109.638 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.887 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.8 p -85.48 166.64 16.15 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.385 -0.37 . . . . 0.38 111.049 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.694 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -58.14 -43.17 87.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 0.62 110.435 176.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.4 -33.98 73.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.509 -0.769 . . . . 1.49 110.695 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -67.92 -44.84 75.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.69 110.354 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.23 -52.4 23.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.94 111.065 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.44 5.41 12.75 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.582 -0.818 . . . . 0.35 112.687 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.84 114.99 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.183 0.516 . . . . 0.33 110.311 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -118.0 -166.6 1.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.766 -0.652 . . . . 2.37 111.215 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 12' ' ' TRP . . . -61.73 -32.67 72.91 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.921 0.711 . . . . 0.88 112.921 -172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -80.36 2.12 26.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.599 0.238 . . . . 2.14 111.614 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.2 127.38 41.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.029 0.442 . . . . 0.48 112.011 -176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.38 116.63 14.16 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.74 -0.663 . . . . 1.92 109.927 172.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 61' ' ' LEU . 14.2 tp -116.94 131.03 57.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.125 0.488 . . . . 0.35 110.375 -179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 17' ' ' ARG . 21.8 tp -111.36 137.17 49.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.934 -0.575 . . . . 0.39 109.473 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.754 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 2.8 t80 -110.14 107.55 17.41 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.4 108.805 177.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 t -144.5 150.08 46.29 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.453 -0.34 . . . . 0.6 110.477 -173.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.37 133.73 16.39 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 121.918 1.745 . . . . 1.04 111.666 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.474 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 3.8 pt20 -89.32 11.46 18.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.058 0.456 . . . . 1.46 110.625 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.73 -54.62 21.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.82 -0.627 . . . . 4.6 109.936 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 67.23 124.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 124.108 0.88 . . . . 6.92 112.284 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.27 -0.871 . . . . 8.34 109.992 177.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.432 -0.667 . . . . 26.14 111.432 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 58.4 mt 60.23 79.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.546 0.689 . . . . 24.82 109.296 -173.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -116.8 134.48 22.94 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.538 -0.755 . . . . 23.21 110.718 -173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.51 -41.12 3.54 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.862 2.374 . . . . 22.08 111.511 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.16 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.826 -0.625 . . . . 19.82 109.747 177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.535 ' HA ' ' HA2' ' A' ' 5' ' ' GLY . 27.3 m 74.21 140.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.021 0.825 . . . . 18.37 110.514 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' HG2' HG22 ' A' ' 0' ' ' THR . 25.5 mmt 76.0 -0.97 3.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.258 0.623 . . . . 17.23 111.869 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.3 tp -74.98 -76.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.282 -0.636 . . . . 14.96 109.282 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -117.69 -47.84 2.6 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.094 -1.076 . . . . 14.83 108.094 170.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 p -140.81 -79.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.51 -1.223 . . . . 12.3 108.733 173.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.535 ' HA2' ' HA ' ' A' ' 0' ' ' THR . . . -125.04 -68.75 0.19 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.796 -0.922 . . . . 10.54 110.796 173.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -135.7 149.87 49.38 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.429 -0.582 . . . . 8.98 109.429 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tt -92.43 116.52 29.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.856 0.36 . . . . 9.0 110.083 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -127.58 152.57 47.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 5.9 110.419 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 m -146.74 -25.97 0.41 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.874 0.369 . . . . 4.74 111.264 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 21.6 16.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.443 0.64 . . . . 1.97 110.601 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 20.3 t -166.06 115.95 0.99 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.719 -1.128 . . . . 1.22 108.369 177.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' CZ3' ' HB2' ' A' ' 14' ' ' LEU . 5.0 p-90 -147.8 149.4 32.26 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.418 -0.81 . . . . 0.4 110.658 -169.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 0.7 OUTLIER -83.78 124.67 31.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.413 0.625 . . . . 2.4 110.379 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 84' ' ' ALA . 54.7 tp -119.48 119.55 34.22 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.306 -0.861 . . . . 0.76 109.889 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 7.5 p -85.36 120.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.324 0.583 . . . . 0.96 109.48 174.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.617 ' HB ' HD11 ' A' ' 46' ' ' LEU . 47.5 t -111.17 126.59 68.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.774 -0.648 . . . . 0.31 109.592 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HB2' HD12 ' A' ' 89' ' ' LEU . 83.3 mtp180 -86.93 112.14 21.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.209 -0.451 . . . . 3.03 110.119 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' PHE . 61.7 t -85.45 115.56 27.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.46 110.178 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.706 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.8 t70 -96.47 104.15 16.11 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.324 -0.621 . . . . 0.89 109.324 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -76.51 90.28 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.575 -0.528 . . . . 0.99 109.575 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.26 138.93 57.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 1.79 110.257 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 67.1 t30 67.86 11.71 8.49 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.822 0.701 . . . . 4.01 110.144 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.36 -149.03 10.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.123 -0.56 . . . . 2.95 112.076 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.99 -1.35 0.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.262 0.468 . . . . 6.14 112.262 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -126.99 141.99 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.048 0.452 . . . . 3.74 111.569 -175.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -110.87 106.86 16.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.87 -0.789 . . . . 1.75 108.87 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.0 m -88.42 124.82 34.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.159 -0.473 . . . . 0.66 110.766 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.11 120.94 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.366 0.603 . . . . 2.34 109.592 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.544 HG22 ' HG ' ' A' ' 31' ' ' LEU . 50.0 mm -116.24 120.81 65.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.48 -0.782 . . . . 0.44 110.466 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 26.1 m -100.86 103.78 14.98 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.51 110.218 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HG ' HG22 ' A' ' 29' ' ' ILE . 82.6 mt -111.45 140.77 45.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.865 -0.607 . . . . 0.52 109.654 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.609 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 36.8 ttm180 -91.91 113.44 25.72 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.042 -0.725 . . . . 3.71 109.042 174.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.5 m -111.29 149.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.244 -0.889 . . . . 0.43 110.533 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 14.1 m -98.25 157.69 16.02 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.746 -0.661 . . . . 1.52 109.753 178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -62.15 -25.53 66.5 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.888 -0.672 . . . . 0.49 112.861 -176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -92.09 10.68 28.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.635 0.255 . . . . 2.21 111.518 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HD22 ' A' ' 77' ' ' LEU . 56.4 tp -89.48 124.5 34.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.3 110.206 176.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.3 p-80 -80.34 150.85 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.099 -0.501 . . . . 0.44 111.073 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.532 HG21 ' HB3' ' A' ' 70' ' ' LEU . 18.5 mm -50.27 -44.81 23.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 C-N-CA 123.745 0.818 . . . . 0.26 112.447 -175.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.71 -34.09 75.49 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.817 -0.706 . . . . 0.27 112.587 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.96 -35.03 61.61 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.343 -0.703 . . . . 0.37 111.343 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.98 -48.28 79.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.548 -0.538 . . . . 0.31 109.548 176.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 59.8 mtp -55.93 -42.47 76.15 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.509 -0.768 . . . . 1.26 111.423 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.81 -42.08 95.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.972 -0.558 . . . . 1.02 110.59 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -64.48 -32.55 74.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.22 111.455 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.1 mm? -59.37 -52.12 66.98 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.796 0.332 . . . . 0.96 110.434 175.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.69 -43.29 98.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.204 -0.453 . . . . 0.65 110.567 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -65.14 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 2.36 111.319 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.535 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.6 tp60 -60.44 -50.27 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.695 0.283 . . . . 1.34 110.692 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.413 ' HE3' ' HB2' ' A' ' 50' ' ' MET . 62.5 mtm -72.84 -27.76 62.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.03 110.124 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 54.01 74.37 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.945 -1.025 . . . . 1.95 111.114 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.1 mt -129.66 106.51 13.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 1.56 110.159 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.68 101.2 8.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.983 -0.553 . . . . 2.71 110.129 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -160.12 172.38 17.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.897 -0.592 . . . . 3.75 109.899 -177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -79.79 109.39 14.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.584 -0.524 . . . . 2.95 109.584 172.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 80.4 m95 -87.83 9.88 20.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.997 -0.547 . . . . 2.18 111.011 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.6 t 52.62 39.06 27.54 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.211 0.529 . . . . 2.67 109.867 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.4 95.32 0.05 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.741 -1.118 . . . . 2.77 110.42 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 25.5 p90 -77.43 134.45 38.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.103 -0.953 . . . . 4.26 110.22 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -140.68 159.91 41.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.963 0.411 . . . . 0.66 110.892 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 11.8 tp -93.24 133.76 36.13 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.83 -0.623 . . . . 1.22 109.752 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 52.6 t-105 -113.34 122.7 48.19 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.083 -0.508 . . . . 0.56 110.648 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.497 ' HB2' HD21 ' A' ' 70' ' ' LEU . 3.8 t90 -96.08 109.76 22.12 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.686 -0.857 . . . . 0.35 108.686 175.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -69.41 -40.07 77.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.235 -0.439 . . . . 2.31 111.608 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -73.99 -4.94 38.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 1.69 111.814 -172.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -123.47 -12.62 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 110.137 -0.32 . . . . 1.1 110.137 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 51.04 65.73 1.39 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.598 -0.728 . . . . 3.52 110.339 -170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.8 t -148.65 148.05 29.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.394 -0.821 . . . . 1.59 110.404 -174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 84.8 m95 -96.77 126.58 42.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.797 -0.816 . . . . 0.57 108.797 176.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HB3' HG21 ' A' ' 39' ' ' ILE . 4.0 mm? -70.87 103.48 2.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.249 0.547 . . . . 0.61 110.033 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.5 mt -109.91 4.07 21.18 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.623 -0.88 . . . . 0.73 108.623 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 75' ' ' TRP . 43.0 mmtm -86.96 56.37 3.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.566 -1.197 . . . . 1.95 108.735 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.51 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 17.6 p -62.13 -25.99 68.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.549 -0.751 . . . . 0.64 112.166 -172.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -84.1 -16.07 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 2.94 110.615 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.462 ' O ' HG12 ' A' ' 39' ' ' ILE . 12.6 m0 -79.54 149.27 31.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.76 109.937 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.728 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.5 p -89.79 173.09 8.45 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.696 -0.229 . . . . 0.38 110.503 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -57.53 -49.22 77.05 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.242 0.544 . . . . 0.62 110.05 176.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.36 -41.65 93.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.174 -0.921 . . . . 1.49 110.774 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 85.9 tttt -65.96 -41.52 91.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.69 111.261 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.7 t -70.28 -40.33 74.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.447 -0.342 . . . . 0.94 110.672 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.98 15.16 17.11 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.647 -0.787 . . . . 0.35 112.42 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.3 p -98.75 121.3 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.305 0.574 . . . . 0.33 110.564 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.515 ' HG3' ' H ' ' A' ' 85' ' ' ASP . 15.7 pt20 -112.68 -176.88 3.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.368 -0.833 . . . . 2.37 110.36 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.504 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -73.51 -4.61 34.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.033 0.444 . . . . 0.88 111.549 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.515 ' H ' ' HG3' ' A' ' 83' ' ' GLN . 5.0 m-20 -89.43 -14.11 36.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.867 -0.606 . . . . 2.14 110.561 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.77 130.85 35.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.073 -0.512 . . . . 0.48 111.04 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.7 110.63 6.38 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.601 -0.518 . . . . 1.92 109.601 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 15.3 tp -113.0 129.48 56.48 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.703 -0.681 . . . . 0.35 110.387 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD12 ' HB2' ' A' ' 17' ' ' ARG . 12.8 tp -112.72 148.0 35.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.737 -0.665 . . . . 0.39 109.452 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 54.1 t80 -126.72 110.78 13.51 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.734 -0.469 . . . . 0.4 109.734 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.706 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.1 t -142.55 147.23 41.92 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.435 -0.348 . . . . 0.6 111.016 -175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.566 ' HB3' ' O ' ' A' ' 56' ' ' TRP . 53.4 Cg_exo -54.58 127.89 27.94 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.403 2.069 . . . . 1.04 110.668 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.467 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 3.9 pt20 -72.49 -31.75 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.44 -0.504 . . . . 1.46 110.661 -176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.0 p80 35.62 78.11 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.055 0.847 . . . . 4.6 111.72 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -51.65 115.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.016 -0.993 . . . . 6.92 111.578 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.574 -0.727 . . . . 8.34 110.24 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.852 -0.499 . . . . 26.14 111.852 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' -4' ' ' ILE . 3.9 mp -94.61 -46.71 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.325 -0.62 . . . . 24.82 109.325 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -107.5 131.01 22.03 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.438 -0.801 . . . . 23.21 109.649 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.422 ' HB2' ' O ' ' A' ' 1' ' ' MET . 51.2 Cg_exo -56.73 109.42 0.45 Allowed 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 123.005 2.47 . . . . 22.08 112.278 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.64 112.18 2.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.36 -0.836 . . . . 19.82 111.286 -174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 0' ' ' THR . 10.7 m 66.69 12.86 9.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.626 -0.716 . . . . 18.37 111.617 175.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' -2' ' ' PRO . 51.9 ttm -123.54 99.32 6.25 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.663 -0.648 . . . . 17.23 110.983 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 64.86 10.01 5.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.822 -0.627 . . . . 14.96 111.47 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -135.13 94.46 3.14 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.949 -0.76 . . . . 14.83 108.949 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -99.8 -26.17 14.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.884 -0.598 . . . . 12.3 110.4 -175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.56 110.6 1.19 Allowed Glycine 0 N--CA 1.442 -0.934 0 CA-C-N 115.587 -0.733 . . . . 10.54 111.27 -177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -91.61 -12.69 33.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.038 0.447 . . . . 8.98 109.87 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.4 tp -100.29 96.85 7.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 9.0 109.955 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.5 t -171.38 107.38 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.739 -0.664 . . . . 5.9 110.231 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m -113.1 92.57 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.152 -0.476 . . . . 4.74 110.186 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.08 80.77 0.12 Allowed 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.687 0.617 . . . . 1.97 110.641 -175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -118.37 136.06 53.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.538 0.685 . . . . 1.22 111.007 -174.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.7 p-90 -144.34 156.15 44.12 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.747 -1.115 . . . . 0.4 109.905 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -87.58 108.56 19.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.577 0.703 . . . . 2.4 111.306 -177.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 62.8 tp -91.84 125.65 36.63 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.362 -0.835 . . . . 0.76 110.224 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 p -95.51 120.11 44.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.354 0.597 . . . . 0.96 109.667 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.1 t -117.6 128.31 74.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.722 -0.672 . . . . 0.31 109.975 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.702 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 51.7 mtp180 -91.0 120.7 32.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.065 -0.516 . . . . 3.03 109.896 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG11 ' HE1' ' A' ' 50' ' ' MET . 46.9 t -87.75 121.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-O 120.921 0.391 . . . . 0.46 111.05 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.753 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 16.9 t70 -97.28 106.24 18.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.376 176.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -78.35 111.8 14.71 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.143 -0.48 . . . . 0.99 110.007 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.97 107.78 0.67 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.989 -0.55 . . . . 1.79 110.506 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 65.11 84.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.013 0.821 . . . . 4.01 109.955 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.32 159.25 14.58 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.655 -0.702 . . . . 2.95 111.605 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -97.94 166.75 11.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.449 0.166 . . . . 6.14 111.185 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 64.36 100.29 0.04 OUTLIER 'General case' 0 C--O 1.233 0.205 0 O-C-N 124.024 0.827 . . . . 3.74 111.833 177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -77.42 154.86 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.732 -0.84 . . . . 1.75 108.732 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -117.16 124.56 49.44 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.854 -0.338 . . . . 0.66 111.416 -173.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.702 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 6.4 mp0 -98.42 107.76 20.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.822 -0.436 . . . . 2.34 109.822 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.496 HG22 ' HG ' ' A' ' 31' ' ' LEU . 43.8 mm -105.88 132.19 53.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.22 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 39.9 m -107.96 111.18 23.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.977 0.417 . . . . 0.51 110.22 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' HG22 ' A' ' 29' ' ' ILE . 97.4 mt -116.1 145.25 43.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.124 -0.489 . . . . 0.52 110.496 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -91.15 109.79 21.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.266 -0.642 . . . . 3.71 109.266 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.37 164.98 20.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.545 -0.752 . . . . 0.43 110.613 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 p -118.2 165.18 14.12 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.776 -0.453 . . . . 1.52 109.776 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.92 -25.12 74.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.675 -0.774 . . . . 0.49 112.79 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -85.55 -2.37 58.08 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.977 0.417 . . . . 2.21 111.062 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.9 tp -76.32 127.54 33.07 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.3 109.069 175.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.905 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 16.8 p-80 -86.01 155.47 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.658 -0.417 . . . . 0.44 110.752 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.801 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.4 mm -50.86 -42.78 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 CA-C-N 115.689 -0.687 . . . . 0.26 112.637 -174.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.665 ' HA2' ' HE2' ' A' ' 43' ' ' MET . . . -56.11 -37.08 70.22 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 121.155 -0.545 . . . . 0.27 113.043 -178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.61 -35.64 67.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.924 -0.655 . . . . 0.37 111.846 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 77' ' ' LEU . 40.8 t -64.42 -47.27 90.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.713 0.292 . . . . 0.31 110.218 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.665 ' HE2' ' HA2' ' A' ' 40' ' ' GLY . 31.6 mtm -59.81 -37.73 79.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.005 -0.543 . . . . 1.26 110.741 -178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.2 tp -64.13 -45.31 89.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.94 -0.573 . . . . 1.02 110.498 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -64.15 -32.05 73.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.55 . . . . 1.22 111.339 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.469 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -58.3 -45.05 88.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.007 0.432 . . . . 0.96 110.418 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.37 -43.66 84.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 0.65 110.522 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.1 mt-10 -61.7 -35.9 79.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.287 -0.415 . . . . 2.36 111.128 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 24.6 tp60 -61.36 -45.16 95.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.87 -0.604 . . . . 1.34 111.396 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.592 ' HB3' HG13 ' A' ' 52' ' ' ILE . 60.7 mtm -86.1 -46.94 9.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.171 -0.468 . . . . 1.03 111.208 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 56.77 41.93 27.44 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.503 0.668 . . . . 1.95 110.433 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.592 HG13 ' HB3' ' A' ' 50' ' ' MET . 65.0 mt -88.01 142.45 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.703 -0.681 . . . . 1.56 110.219 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 71.87 8.12 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.239 0.542 . . . . 2.71 111.202 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -141.76 144.42 33.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.787 -0.642 . . . . 3.75 109.28 176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -82.34 121.7 27.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.302 0.572 . . . . 2.95 111.743 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.709 ' HE3' ' HG3' ' A' ' 92' ' ' PRO . 48.8 m95 -93.2 -36.54 12.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.287 -0.87 . . . . 2.18 108.95 175.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.7 t 62.99 -81.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 114.887 -1.051 . . . . 2.67 110.758 -177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' HB2' ' HB2' ' A' ' 94' ' ' HIS . 3.6 m-20 -109.56 79.05 1.18 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.386 -0.598 . . . . 2.77 109.386 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.659 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 36.6 p90 -76.66 132.22 39.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.826 -0.624 . . . . 4.26 110.232 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' SD ' ' A' ' 43' ' ' MET . . . -145.16 157.83 43.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.97 0.414 . . . . 0.66 111.06 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 88' ' ' LEU . 10.2 tp -95.57 138.91 32.58 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.577 -0.527 . . . . 1.22 109.577 -178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -122.27 119.59 31.63 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.993 0.425 . . . . 0.56 110.385 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.3 t90 -83.96 111.02 18.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.728 -0.841 . . . . 0.35 108.728 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 89' ' ' LEU . 4.5 mm-40 -66.44 -42.84 87.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 2.31 111.517 -175.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 91.0 mt-30 -63.14 -27.44 69.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 1.69 111.449 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.51 -9.26 16.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.233 -0.439 . . . . 1.1 111.311 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 14.0 ptp180 38.31 72.77 0.12 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 122.028 0.918 . . . . 3.52 110.776 -168.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -150.49 149.57 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.876 -1.057 . . . . 1.59 110.262 -171.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -95.17 126.2 40.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.162 -0.681 . . . . 0.57 109.162 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.3 mm? -77.78 103.26 7.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.134 0.492 . . . . 0.61 109.752 177.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.4 mt -105.05 -8.72 18.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.885 -0.783 . . . . 0.73 108.885 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -79.24 52.55 1.34 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.712 -1.131 . . . . 1.95 109.175 173.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.801 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 32.7 p -66.05 -22.24 66.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.792 -0.64 . . . . 0.64 111.465 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -86.45 -10.57 53.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 2.94 110.6 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.464 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 12.9 m0 -86.88 149.13 25.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.131 -0.486 . . . . 0.76 109.779 177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.905 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 77.7 p -85.5 166.7 16.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.393 -0.367 . . . . 0.38 111.103 -176.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 42' ' ' VAL . 5.0 mp -57.48 -44.15 84.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.793 -0.639 . . . . 0.62 110.923 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -70.94 -34.26 71.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.086 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 21.2 tptm -70.78 -33.01 70.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.371 -0.377 . . . . 1.69 110.572 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.2 m -77.28 -38.98 49.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.957 0.408 . . . . 0.94 110.391 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.91 15.37 24.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.745 -0.74 . . . . 0.35 112.704 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.02 128.78 47.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.777 0.323 . . . . 0.33 110.337 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -122.01 -168.82 1.77 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.288 -0.414 . . . . 2.37 110.518 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.06 62.01 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.394 0.516 . . . . 0.88 112.394 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.36 -8.22 57.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.923 0.392 . . . . 2.14 110.58 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -83.21 125.63 31.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.43 . . . . 0.48 110.753 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -68.89 109.67 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.197 -0.668 . . . . 1.92 109.197 175.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 61' ' ' LEU . 20.9 tp -119.08 137.58 53.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.35 110.625 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 17' ' ' ARG . 15.6 tp -117.62 151.92 36.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.756 -0.657 . . . . 0.39 109.527 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.659 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.8 t80 -124.9 111.57 15.61 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.561 -0.533 . . . . 0.4 109.561 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.753 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.8 t -141.17 140.13 20.46 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.44 -0.346 . . . . 0.6 110.699 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.709 ' HG3' ' HE3' ' A' ' 56' ' ' TRP . 22.8 Cg_exo -63.94 126.17 16.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.537 2.158 . . . . 1.04 111.748 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -79.83 -2.98 45.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.046 0.451 . . . . 1.46 110.214 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 58' ' ' ASP . 33.8 t-80 -82.04 51.43 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.67 0.748 . . . . 4.6 110.118 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.46 29.28 3.32 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.809 0.814 . . . . 6.92 108.839 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.379 -1.282 . . . . 8.34 109.948 -176.037 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.841 -0.504 . . . . 26.14 111.841 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.03 -43.27 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.295 0.569 . . . . 24.82 109.528 178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -100.17 112.65 64.5 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.402 -0.817 . . . . 23.21 109.833 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -58.0 -51.44 7.84 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.507 2.138 . . . . 22.08 111.462 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -169.11 122.51 0.8 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.862 -0.608 . . . . 19.82 110.135 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 42.4 m -75.98 104.35 6.47 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.495 -0.557 . . . . 18.37 109.495 175.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp -94.87 114.72 26.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.384 -0.371 . . . . 17.23 111.341 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -138.91 -34.72 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.836 -0.802 . . . . 14.96 108.836 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m 68.28 23.85 7.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.224 -0.898 . . . . 14.83 111.595 176.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -150.87 73.07 1.1 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.505 0.669 . . . . 12.3 109.567 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.91 5.84 15.91 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.449 -0.796 . . . . 10.54 111.751 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -94.46 -47.16 6.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 8.98 110.235 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -108.18 82.8 1.68 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 9.0 110.132 178.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.8 m -100.56 -7.59 23.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.879 -0.6 . . . . 5.9 109.797 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -59.18 113.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.466 -0.788 . . . . 4.74 110.372 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.13 65.01 1.26 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.984 -0.553 . . . . 1.97 110.562 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 22.0 t -118.99 132.7 56.08 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.744 -0.662 . . . . 1.22 110.347 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.622 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.4 p-90 -137.57 156.62 47.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.391 -0.822 . . . . 0.4 110.272 -178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.72 112.36 20.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.976 0.417 . . . . 2.4 110.459 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.4 tp -102.83 129.6 49.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.719 -0.673 . . . . 0.76 110.299 -178.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.93 120.08 49.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.21 0.529 . . . . 0.96 110.19 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.564 ' HB ' HD11 ' A' ' 46' ' ' LEU . 83.4 t -112.27 123.75 68.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.601 . . . . 0.31 110.014 179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' O ' HD12 ' A' ' 89' ' ' LEU . 78.3 mtp180 -88.19 111.24 21.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.077 -0.511 . . . . 3.03 109.901 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 39.0 t -86.09 124.02 39.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.067 0.46 . . . . 0.46 110.946 -178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' HB2' HD11 ' A' ' 89' ' ' LEU . 23.7 t70 -96.55 101.21 12.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.89 109.406 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -79.9 98.41 7.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.63 -0.713 . . . . 0.99 109.626 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.81 -39.14 70.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.967 -0.561 . . . . 1.79 111.499 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -96.85 -11.96 24.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.108 0.48 . . . . 4.01 110.673 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 -156.26 28.86 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.475 -0.65 . . . . 2.95 111.475 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.58 -49.78 0.66 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.993 0.396 . . . . 6.14 110.937 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -69.96 115.18 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.825 -0.625 . . . . 3.74 111.114 -176.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -74.26 110.67 8.74 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.823 -0.626 . . . . 1.75 109.905 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -89.52 120.68 31.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.204 -0.453 . . . . 0.66 110.663 -176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -99.5 106.99 19.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.526 0.679 . . . . 2.34 109.516 175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG22 ' HG ' ' A' ' 31' ' ' LEU . 41.1 mm -100.13 129.69 50.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.514 -0.766 . . . . 0.44 110.958 -175.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.4 m -102.19 109.96 21.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.009 -0.541 . . . . 0.51 109.842 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' HG22 ' A' ' 29' ' ' ILE . 79.9 mt -113.61 139.12 49.28 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.853 -0.612 . . . . 0.52 109.956 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -92.23 108.85 20.26 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.756 -0.831 . . . . 3.71 108.756 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.89 163.44 25.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.536 -0.756 . . . . 0.43 110.981 -170.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 4.6 p -104.33 156.65 17.74 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.236 -0.438 . . . . 1.52 109.957 177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.67 -27.26 72.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.282 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -88.79 10.1 22.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.094 0.473 . . . . 2.21 111.098 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 77' ' ' LEU . 60.7 tp -82.52 131.04 35.22 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.623 -0.51 . . . . 0.3 109.623 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 46.4 p-80 -75.64 146.91 39.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.44 110.754 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.743 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 17.0 mm -53.77 -37.49 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.924 -0.58 . . . . 0.26 112.051 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -27.74 65.09 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.006 -0.616 . . . . 0.27 112.812 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.93 -37.48 38.54 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.929 -0.653 . . . . 0.37 111.498 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 77' ' ' LEU . 47.6 t -63.85 -44.23 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 110.013 -0.365 . . . . 0.31 110.013 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 90' ' ' PHE . 47.5 ttm -52.54 -41.4 63.48 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.743 -0.662 . . . . 1.26 110.937 177.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 57.9 tp -68.88 -42.5 76.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.856 -0.611 . . . . 1.02 110.877 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.82 -33.4 75.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.22 112.043 -175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.7 mm? -59.71 -44.21 93.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.025 0.441 . . . . 0.96 110.168 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.9 t -67.31 -37.02 78.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.65 110.684 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 50.8 mt-10 -70.11 -46.6 64.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.209 -0.45 . . . . 2.36 111.368 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 29' ' ' ILE . 6.3 tp-100 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.468 -0.333 . . . . 1.34 111.198 -176.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.8 mtm -72.57 -28.22 62.68 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.918 -0.401 . . . . 1.03 109.918 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.2 t30 55.67 70.24 0.65 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.121 -0.945 . . . . 1.95 110.965 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.429 ' HB ' ' HZ2' ' A' ' 56' ' ' TRP . 56.2 mt -130.67 102.03 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.488 -0.778 . . . . 1.56 110.021 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.58 101.44 3.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.042 0.449 . . . . 2.71 110.457 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -142.51 174.98 10.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.809 -0.632 . . . . 3.75 110.307 -177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.25 98.3 10.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.996 -0.742 . . . . 2.95 108.996 170.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.429 ' HZ2' ' HB ' ' A' ' 52' ' ' ILE . 90.2 m95 -90.14 -14.49 33.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.919 -0.582 . . . . 2.18 110.443 -176.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 51.1 m 60.63 -137.29 0.62 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.902 -0.59 . . . . 2.67 109.844 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -74.36 -59.77 2.58 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.708 -0.397 . . . . 2.77 110.004 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' OH ' ' HD3' ' A' ' 92' ' ' PRO . 0.3 OUTLIER 65.57 166.96 0.19 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.834 0.708 . . . . 4.26 110.644 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -174.19 174.26 2.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.043 0.449 . . . . 0.66 111.95 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.6 mm? -95.5 137.12 35.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.511 -0.768 . . . . 1.22 110.168 175.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.406 ' HZ2' HH11 ' A' ' 67' ' ' ARG . 57.7 t-105 -108.45 114.68 28.72 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.997 -0.547 . . . . 0.56 109.548 174.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -85.39 110.69 19.31 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.612 -0.884 . . . . 0.35 108.612 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -67.3 -55.14 15.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 2.31 111.626 -172.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.15 -39.12 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.329 0.492 . . . . 1.69 112.329 -175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -87.71 -13.07 43.46 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.747 0.277 . . . . 1.1 111.747 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.406 HH11 ' HZ2' ' A' ' 62' ' ' TRP . 35.0 mmt180 54.37 64.99 1.63 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.138 0.494 . . . . 3.52 110.208 -174.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.7 t -144.96 145.89 31.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 1.59 110.988 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -98.43 122.69 41.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.11 -0.7 . . . . 0.57 109.11 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.6 mm? -77.79 101.19 6.59 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.185 -0.606 . . . . 0.61 109.381 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -117.0 -5.03 11.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.186 -0.915 . . . . 0.73 109.034 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.58 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -84.5 66.18 9.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.812 -1.086 . . . . 1.95 108.17 174.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.743 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 10.5 p -74.03 -14.25 60.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.235 -0.893 . . . . 0.64 111.98 -172.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -82.85 -21.4 34.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.972 0.415 . . . . 2.94 109.952 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.9 m0 -75.67 154.05 36.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.575 -0.739 . . . . 0.76 109.667 176.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.703 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.3 p -93.87 168.85 10.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.377 -0.374 . . . . 0.38 110.841 -178.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 42' ' ' VAL . 5.7 mp -55.62 -49.92 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.62 110.964 177.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -68.09 -33.74 75.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.813 -0.63 . . . . 1.49 110.619 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 53.7 tptt -66.84 -39.71 87.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 1.69 110.688 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.3 m -74.57 -34.58 62.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.265 -0.425 . . . . 0.94 110.712 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.15 2.22 35.92 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.741 -0.742 . . . . 0.35 112.913 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -88.55 128.48 40.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.977 0.418 . . . . 0.33 110.581 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 48.5 mt-30 -123.9 -172.98 2.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 2.37 110.657 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.52 -17.3 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.64 0.607 . . . . 0.88 112.64 -171.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -97.85 6.93 47.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.886 0.374 . . . . 2.14 111.305 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -95.1 129.66 42.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.431 -0.35 . . . . 0.48 110.588 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -70.22 100.64 1.72 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.875 -0.417 . . . . 1.92 109.875 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.578 ' HG ' HD12 ' A' ' 61' ' ' LEU . 20.2 tp -109.09 124.69 51.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.776 -0.647 . . . . 0.35 110.533 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 17' ' ' ARG . 32.2 tp -104.36 136.27 44.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.72 -0.673 . . . . 0.39 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CZ ' ' HG3' ' A' ' 43' ' ' MET . 6.0 t80 -107.06 108.08 19.39 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.802 -0.814 . . . . 0.4 108.802 175.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.459 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.6 t -142.41 149.54 51.53 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 109.874 -0.417 . . . . 0.6 109.874 -174.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 36.0 Cg_endo -66.2 133.06 31.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.268 1.978 . . . . 1.04 111.722 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -72.61 77.11 1.08 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.701 0.763 . . . . 1.46 110.42 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -80.14 -34.02 38.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.729 -1.123 . . . . 4.6 109.996 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -121.97 78.52 1.48 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.885 -0.598 . . . . 6.92 110.198 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 48.1 ttp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.492 -0.766 . . . . 8.34 109.982 177.8 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.752 -0.539 . . . . 26.14 111.752 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 44.4 mt -80.16 80.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.318 -0.623 . . . . 24.82 109.318 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.599 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 29.2 m-20 -108.3 -56.11 0.06 OUTLIER Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 23.21 111.229 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 73.8 Cg_endo -76.51 100.99 1.45 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.745 1.63 . . . . 22.08 112.174 179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -100.55 106.17 17.66 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.274 -0.639 . . . . 19.82 109.274 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 8.7 m -57.28 117.48 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 18.37 111.035 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt -65.55 135.12 54.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 17.23 110.243 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 2' ' ' LEU . 2.8 mm? -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 14.96 110.14 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -83.43 107.55 16.0 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.052 -0.522 . . . . 14.83 109.684 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 71.51 -66.6 0.29 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.873 0.733 . . . . 12.3 109.727 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 58.29 58.1 16.36 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.429 -0.415 . . . . 10.54 112.741 175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -110.21 25.6 11.61 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.108 -0.237 . . . . 8.98 111.088 -178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.514 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.5 pt? -63.33 131.0 46.87 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.874 -0.787 . . . . 9.0 108.874 172.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -161.05 138.0 8.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.273 0.559 . . . . 5.9 112.157 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.6 -35.12 65.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.642 -0.708 . . . . 4.74 109.317 170.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.89 118.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.081 -0.963 . . . . 1.97 109.762 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 m -94.62 133.9 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.934 0.397 . . . . 1.22 110.311 177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.543 ' CH2' ' HA ' ' A' ' 83' ' ' GLN . 5.6 p-90 -145.4 150.27 36.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.737 -0.665 . . . . 0.4 110.598 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -75.73 124.68 27.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 2.4 110.617 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 65.7 tp -120.01 121.73 39.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.962 -0.563 . . . . 0.76 110.137 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 p -90.72 119.57 38.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.275 0.56 . . . . 0.96 110.004 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' HB ' HD21 ' A' ' 46' ' ' LEU . 44.4 t -115.1 127.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.675 -0.693 . . . . 0.31 109.377 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.678 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.9 mtt180 -93.59 111.7 23.43 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.345 -0.389 . . . . 3.03 110.101 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 HG11 ' HE1' ' A' ' 50' ' ' MET . 42.2 t -86.43 115.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.654 -0.498 . . . . 0.46 109.654 177.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB2' HD11 ' A' ' 89' ' ' LEU . 11.7 t70 -95.85 100.78 12.43 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.165 -0.68 . . . . 0.89 109.165 -176.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.811 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 46.8 m-70 -82.56 97.9 8.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.798 -0.637 . . . . 0.99 109.585 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.06 62.08 2.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 1.79 110.993 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' HB2' ' H ' ' A' ' 23' ' ' GLY . 76.3 m-20 -132.62 -88.86 0.43 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.55 -0.75 . . . . 4.01 109.128 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 22' ' ' ASN . . . -146.29 25.88 1.71 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.635 -1.386 . . . . 2.95 109.635 171.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.811 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 23.8 mt-10 -113.17 -171.1 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.684 -0.758 . . . . 6.14 110.208 -173.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -119.23 -175.51 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.438 -0.346 . . . . 3.74 110.214 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -77.96 107.21 10.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.99 0.424 . . . . 1.75 110.342 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -78.69 120.77 23.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 0.66 109.951 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.678 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 50.8 mt-10 -97.31 106.16 18.44 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.671 -0.492 . . . . 2.34 109.671 -179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -107.74 126.83 64.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.682 -0.69 . . . . 0.44 110.617 -177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 m -91.38 114.05 26.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.51 109.35 175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.4 mt -108.49 145.48 34.65 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.12 -0.491 . . . . 0.52 110.581 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -91.79 108.08 19.66 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.074 -1.084 . . . . 3.71 108.074 173.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.2 m -131.29 166.02 29.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.933 -0.576 . . . . 0.43 111.105 -172.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.9 m -140.75 162.39 35.53 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.61 -0.723 . . . . 1.52 109.775 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.556 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -59.79 -25.12 61.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.821 -0.704 . . . . 0.49 112.702 177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -76.65 -11.68 59.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.689 0.28 . . . . 2.21 111.384 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 77' ' ' LEU . 45.9 tp -80.86 135.51 35.94 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.824 -0.435 . . . . 0.3 109.824 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.749 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.3 p-80 -87.03 150.16 24.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.167 -0.47 . . . . 0.44 110.398 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.5 mm -52.43 -39.04 27.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 C-N-CA 123.014 0.526 . . . . 0.26 112.234 -176.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.34 -30.76 68.41 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 121.015 -0.612 . . . . 0.27 112.418 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.67 -29.42 52.29 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.917 -0.658 . . . . 0.37 111.608 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 77' ' ' LEU . 38.4 t -66.91 -48.06 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.355 . . . . 0.31 110.148 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.641 ' HA ' HD12 ' A' ' 46' ' ' LEU . 56.7 mtm -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 1.26 110.435 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.83 -47.66 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.02 109.965 175.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.761 ' HA ' ' HG2' ' A' ' 48' ' ' GLU . 40.2 mttp -62.66 -33.78 75.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.007 -0.542 . . . . 1.22 111.346 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 43' ' ' MET . 45.4 mt -60.38 -49.27 78.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 0.96 110.775 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.1 t -66.78 -43.51 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.65 111.359 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.761 ' HG2' ' HA ' ' A' ' 45' ' ' LYS . 8.3 pt-20 -72.2 -30.48 64.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.184 -0.206 . . . . 2.36 111.43 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.02 -53.96 21.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.833 0.349 . . . . 1.34 110.48 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.503 ' HB3' HG13 ' A' ' 52' ' ' ILE . 72.1 mtm -65.42 -48.02 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.03 110.083 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 53.23 58.65 5.06 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.655 -0.702 . . . . 1.95 110.375 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.503 HG13 ' HB3' ' A' ' 50' ' ' MET . 64.9 mt -100.25 139.46 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.628 -0.715 . . . . 1.56 110.552 -175.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.99 72.08 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.525 . . . . 2.71 110.877 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -144.74 153.73 41.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.734 -0.666 . . . . 3.75 109.531 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.66 113.18 20.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.246 0.546 . . . . 2.95 111.395 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . 96.7 m95 -82.88 72.59 9.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.44 -0.8 . . . . 2.18 109.68 178.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.2 m -55.45 -63.91 1.02 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.152 -0.931 . . . . 2.67 111.484 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -138.49 136.78 36.5 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.106 -0.702 . . . . 2.77 109.106 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.748 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 34.0 p90 -156.32 147.77 22.58 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.414 -0.812 . . . . 4.26 110.331 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.7 163.2 39.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.027 0.441 . . . . 0.66 110.827 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 88' ' ' LEU . 16.4 tp -90.13 133.2 35.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.988 -0.551 . . . . 1.22 109.997 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -117.36 112.81 21.22 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.604 -0.726 . . . . 0.56 110.378 -177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.552 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.5 t90 -83.15 109.0 16.8 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 107.842 -1.17 . . . . 0.35 107.842 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -75.71 -37.46 59.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.638 -0.256 . . . . 2.31 110.43 -172.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 15.7 mm-40 -56.21 -38.47 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 1.69 111.409 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.9 mmtt -102.37 -15.85 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 1.1 111.472 -176.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 57.99 76.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.047 -0.524 . . . . 3.52 110.393 -171.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 63' ' ' TRP . 25.0 p -163.08 148.68 11.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.757 -0.656 . . . . 1.59 110.376 -175.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 93' ' ' GLN . 83.3 m95 -96.37 139.27 32.75 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.245 -0.65 . . . . 0.57 109.245 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.1 mm? -95.89 103.57 15.46 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.551 -0.537 . . . . 0.61 109.551 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.6 mt -109.56 -7.1 15.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.392 0.615 . . . . 0.73 109.994 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.696 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.86 72.55 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.906 0.86 . . . . 1.95 109.303 173.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 33.0 p -66.17 -22.25 66.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.64 111.968 -174.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -87.42 -5.88 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 2.94 110.961 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -84.25 144.76 28.71 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.723 -0.473 . . . . 0.76 109.723 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.749 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 72.9 p -89.76 166.26 13.67 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.431 -0.349 . . . . 0.38 110.902 -178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 42' ' ' VAL . 7.2 mp -60.74 -34.0 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.463 . . . . 0.62 110.496 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.3 -38.35 78.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.49 110.244 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -73.17 -36.88 66.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.665 . . . . 1.69 111.048 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HG12 ' A' ' 82' ' ' VAL . 67.4 m -79.8 -34.2 39.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.518 -0.31 . . . . 0.94 111.399 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.03 14.2 52.5 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 0.35 112.507 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 80' ' ' CYS . 1.3 p -91.88 122.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.856 0.36 . . . . 0.33 110.213 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.543 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 81.0 mt-30 -129.61 -162.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.068 -0.515 . . . . 2.37 111.317 -177.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.3 -23.31 67.26 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 112.934 0.716 . . . . 0.88 112.934 -172.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.58 1.94 56.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.928 0.394 . . . . 2.14 111.709 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . -81.84 109.92 16.66 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.328 -0.396 . . . . 0.48 110.528 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -62.66 106.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.538 -0.912 . . . . 1.92 108.538 173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 HD21 ' A' ' 61' ' ' LEU . 13.9 tp -115.48 123.15 47.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.035 -0.53 . . . . 0.35 110.985 -169.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 19' ' ' ASP . 24.4 tp -112.33 140.04 47.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.779 . . . . 0.39 109.336 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -116.73 110.07 17.96 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.121 -0.696 . . . . 0.4 109.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.5 t -141.97 151.29 58.87 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.23 -0.441 . . . . 0.6 111.401 -171.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.748 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 9.4 Cg_endo -54.84 136.65 72.88 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.43 2.087 . . . . 1.04 110.476 169.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.406 ' HA ' ' CH2' ' A' ' 69' ' ' TRP . 10.0 pt20 -86.17 -53.16 5.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.562 -0.29 . . . . 1.46 111.509 -172.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 92' ' ' PRO . 49.2 m80 57.69 -173.33 0.08 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.998 0.428 . . . . 4.6 111.354 -175.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 17.0 tppt? 59.33 40.16 21.46 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.502 0.668 . . . . 6.92 111.533 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 73.7 mtp . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.777 -0.63 . . . . 8.34 110.392 175.806 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.298 -0.721 . . . . 26.14 111.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . 0.529 HG23 HD11 ' A' ' 2' ' ' LEU . 4.5 tp -98.27 99.51 8.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.733 0.778 . . . . 24.82 110.867 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -148.79 104.93 3.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.307 -0.861 . . . . 23.21 109.685 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.22 -41.21 16.94 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.597 2.198 . . . . 22.08 112.223 -177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . 0.517 ' HD2' HG23 ' A' ' 0' ' ' THR . 64.9 t80 -153.96 -48.83 0.09 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.792 -0.64 . . . . 19.82 109.451 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . 0.517 HG23 ' HD2' ' A' ' -1' ' ' PHE . 19.8 p -110.38 178.6 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.215 -0.902 . . . . 18.37 110.494 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 mtt -81.33 164.59 22.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 17.23 110.767 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.529 HD11 HG23 ' A' ' -4' ' ' ILE . 94.2 mt -87.26 173.56 9.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.138 -0.483 . . . . 14.96 110.331 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -88.24 95.63 10.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.05 0.453 . . . . 14.83 110.843 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -134.27 152.04 51.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.644 -0.707 . . . . 12.3 109.762 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.59 70.16 0.85 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.952 -0.642 . . . . 10.54 112.684 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -87.61 -72.08 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.237 -0.282 . . . . 8.98 110.237 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.1 pt? -86.58 -28.98 22.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.217 0.532 . . . . 9.0 109.623 177.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.731 HG23 ' HB2' ' A' ' 11' ' ' SER . 17.2 m -113.9 85.45 2.21 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.765 -0.652 . . . . 5.9 110.222 178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 p -103.79 -37.49 7.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.782 -0.644 . . . . 4.74 109.574 177.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.63 62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.199 -0.91 . . . . 1.97 109.221 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.731 ' HB2' HG23 ' A' ' 8' ' ' THR . 65.3 m -138.89 150.39 45.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 1.22 110.494 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.548 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.9 p-90 -148.1 167.07 25.96 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.387 -0.824 . . . . 0.4 109.73 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.51 127.2 40.28 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.434 0.635 . . . . 2.4 110.849 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 54.6 tp -117.93 115.37 24.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.321 -0.854 . . . . 0.76 109.576 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.7 p -84.4 119.31 33.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.528 0.68 . . . . 0.96 109.755 176.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.92 115.89 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.515 -0.766 . . . . 0.31 109.38 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.624 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 80.6 mtp180 -83.58 110.03 17.9 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.82 -0.808 . . . . 3.03 108.82 177.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -87.99 117.82 32.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-O 121.025 0.441 . . . . 0.46 109.98 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.747 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 18.6 t70 -96.42 113.1 24.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.655 -0.702 . . . . 0.89 109.325 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.7 ' CB ' ' HB2' ' A' ' 24' ' ' GLU . 33.3 m-70 -98.18 91.59 5.33 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.805 -0.634 . . . . 0.99 110.164 -175.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.19 3.21 24.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.023 -0.535 . . . . 1.79 111.195 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.47 19.09 8.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.233 -0.44 . . . . 4.01 111.089 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.99 39.93 4.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.631 -0.795 . . . . 2.95 112.502 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.7 ' HB2' ' CB ' ' A' ' 20' ' ' HIS . 31.5 mt-10 -134.74 -169.32 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.659 -0.497 . . . . 6.14 109.659 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -107.88 163.11 13.4 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.277 -0.268 . . . . 3.74 110.277 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -76.72 140.33 40.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.844 0.354 . . . . 1.75 110.601 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 m -118.33 125.62 50.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.08 -0.509 . . . . 0.66 110.657 -177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.624 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 51.5 mt-10 -98.76 104.98 17.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.868 0.366 . . . . 2.34 110.086 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -109.6 124.38 66.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.118 -0.492 . . . . 0.44 110.214 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 9.4 m -97.35 103.82 15.79 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.744 -0.465 . . . . 0.51 109.744 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 46' ' ' LEU . 93.9 mt -93.12 136.43 33.39 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.017 -0.538 . . . . 0.52 110.907 -176.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -92.54 106.32 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.597 -1.26 . . . . 3.71 107.597 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -131.47 156.11 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.238 0.542 . . . . 0.43 112.275 -167.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 m -96.67 147.18 24.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.364 -0.834 . . . . 1.52 109.058 173.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.44 -21.48 64.6 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.621 -0.799 . . . . 0.49 112.201 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.2 4.32 23.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.063 0.458 . . . . 2.21 110.977 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 77' ' ' LEU . 58.4 tp -86.98 135.31 33.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.141 -0.349 . . . . 0.3 110.157 177.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.968 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.6 p-80 -80.85 152.21 28.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.679 -0.237 . . . . 0.44 111.012 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.809 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 14.6 mm -55.25 -43.62 71.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.905 -0.589 . . . . 0.26 112.214 -174.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.1 66.18 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.27 112.268 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.59 -31.61 44.67 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.08 -0.808 . . . . 0.37 111.08 178.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.714 HG21 HD11 ' A' ' 77' ' ' LEU . 88.1 t -65.74 -44.9 93.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 0.31 109.357 172.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 90' ' ' PHE . 71.8 mtp -56.02 -42.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.495 -0.775 . . . . 1.26 110.87 176.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.29 -39.78 84.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.499 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.31 -34.69 78.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 1.22 111.195 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 31' ' ' LEU . 1.8 mm? -63.05 -47.27 83.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.983 0.421 . . . . 0.96 110.143 175.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 43' ' ' MET . 51.9 t -61.8 -47.21 94.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.618 -0.719 . . . . 0.65 110.94 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.19 -27.06 63.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.477 -0.328 . . . . 2.36 111.778 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.56 -54.21 9.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.867 0.365 . . . . 1.34 110.778 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 65.9 mtm -79.5 -31.5 42.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 1.03 110.853 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.0 t30 55.58 58.05 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.59 0.709 . . . . 1.95 110.366 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.5 HG22 ' HG2' ' A' ' 54' ' ' GLN . 67.1 mt -120.04 134.61 62.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.442 -0.799 . . . . 1.56 110.083 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.2 95.02 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.206 -0.452 . . . . 2.71 111.271 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.5 ' HG2' HG22 ' A' ' 52' ' ' ILE . 16.7 mm-40 -133.87 177.46 7.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.01 -0.737 . . . . 3.75 109.01 176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.9 92.04 7.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 2.95 109.708 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -88.96 5.76 42.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.697 -0.683 . . . . 2.18 109.944 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.4 m -69.95 -63.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.821 -0.627 . . . . 2.67 110.091 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -89.36 56.31 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.12 0.962 . . . . 2.77 109.276 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' CZ ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -125.22 146.25 49.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.568 -1.197 . . . . 4.26 108.153 -178.622 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.68 168.19 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.592 -0.443 . . . . 0.66 111.798 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.648 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.1 mm? -86.99 132.51 33.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.749 . . . . 1.22 110.302 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -101.91 115.0 29.58 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.67 -0.695 . . . . 0.56 109.326 174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.51 ' CE2' ' HD3' ' A' ' 66' ' ' LYS . 3.7 t90 -88.94 109.92 20.66 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.6 -0.889 . . . . 0.35 108.6 178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -67.84 -50.72 55.11 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.877 0.325 . . . . 2.31 111.877 -173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -58.48 -38.83 78.44 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.215 0.45 . . . . 1.69 112.215 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CE2' ' A' ' 63' ' ' TRP . 5.3 mptp? -91.01 -20.65 21.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.709 0.263 . . . . 1.1 111.709 -177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.1 mtm180 56.9 71.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.674 0.609 . . . . 3.52 109.936 -171.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 47.2 t -156.49 147.05 21.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.493 -0.776 . . . . 1.59 109.96 -175.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -98.68 130.67 45.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.617 -0.512 . . . . 0.57 109.617 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.499 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.9 mm? -82.14 102.39 11.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.067 0.461 . . . . 0.61 110.119 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD21 ' OE1' ' A' ' 93' ' ' GLN . 76.9 mt -111.98 -11.53 13.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.692 -0.855 . . . . 0.73 108.692 173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -78.86 57.25 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.572 -1.194 . . . . 1.95 108.822 172.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.809 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 9.8 p -70.72 -20.27 62.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.308 -0.86 . . . . 0.64 111.798 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -76.45 -15.54 59.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.045 -0.525 . . . . 2.94 109.874 177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 11.8 m0 -80.99 152.69 27.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.88 -0.6 . . . . 0.76 109.596 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.968 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 69.2 p -92.83 168.11 11.4 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.714 -0.221 . . . . 0.38 111.147 -177.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD11 HG21 ' A' ' 42' ' ' VAL . 3.9 mp -54.77 -50.99 67.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.008 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -65.83 -36.14 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.968 -0.56 . . . . 1.49 110.722 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.506 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 22.0 tptm -67.84 -39.67 83.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.69 110.819 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.0 m -74.06 -29.99 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.861 0.362 . . . . 0.94 110.845 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 98.54 17.69 27.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.704 -0.76 . . . . 0.35 112.279 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' ALA . 1.8 p -104.05 125.09 58.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.231 0.539 . . . . 0.33 110.329 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.447 ' HA ' ' CH2' ' A' ' 12' ' ' TRP . 27.3 mt-30 -128.57 -165.46 1.5 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 2.37 110.232 -176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.38 67.86 1.05 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.547 0.689 . . . . 0.88 110.248 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -158.7 -36.61 0.06 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.852 -1.067 . . . . 2.14 109.977 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB3' HG23 ' A' ' 82' ' ' VAL . . . -76.31 150.52 36.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.311 -0.859 . . . . 0.48 112.005 -174.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -97.96 104.36 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.316 -0.994 . . . . 1.92 108.316 174.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.648 ' HG ' HD12 ' A' ' 61' ' ' LEU . 6.5 tp -105.11 115.69 30.69 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.719 -0.673 . . . . 0.35 110.654 -171.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 19' ' ' ASP . 20.4 tp -101.89 129.48 48.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.57 -0.741 . . . . 0.39 109.623 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 43' ' ' MET . 4.3 t80 -102.96 106.09 16.56 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.74 -0.837 . . . . 0.4 108.74 178.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.747 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.0 t -143.75 151.59 53.74 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.284 -0.416 . . . . 0.6 110.677 -172.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' HD2' ' OG1' ' A' ' 91' ' ' THR . 37.1 Cg_endo -66.94 129.38 20.64 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.397 2.065 . . . . 1.04 111.922 176.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.416 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 pt20 -97.77 8.68 44.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.098 -0.501 . . . . 1.46 111.3 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -62.16 132.28 52.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.823 0.344 . . . . 4.6 110.758 -175.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -96.7 100.65 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.135 -0.484 . . . . 6.92 110.326 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.474 -0.774 . . . . 8.34 110.071 176.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.128 -0.789 . . . . 26.14 111.128 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 5.6 tp -91.95 76.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 122.402 1.096 . . . . 24.82 109.174 173.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -151.7 150.35 26.15 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.534 -1.212 . . . . 23.21 109.394 -177.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.27 122.99 11.12 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.503 2.135 . . . . 22.08 111.33 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -59.01 113.36 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 19.82 110.745 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 30.1 m -83.85 -25.51 30.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.688 -0.687 . . . . 18.37 111.14 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm 61.79 80.69 0.21 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.055 -0.52 . . . . 17.23 110.38 -177.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.776 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.3 pt? -84.12 143.07 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.108 -0.497 . . . . 14.96 110.072 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m 72.46 146.89 0.08 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.954 0.784 . . . . 14.83 111.118 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -79.04 89.27 4.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 12.3 110.252 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.55 69.22 0.3 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.757 -0.735 . . . . 10.54 112.426 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -110.52 141.49 43.6 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.133 -0.321 . . . . 8.98 110.133 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.3 mt -132.65 9.6 4.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.594 -0.275 . . . . 9.0 111.622 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -127.45 -25.15 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.225 -0.59 . . . . 5.9 112.52 -174.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -105.73 -45.67 4.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.66 0.267 . . . . 4.74 110.87 -177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.8 17.95 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.826 0.822 . . . . 1.97 110.492 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -153.52 122.45 6.45 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.827 -1.079 . . . . 1.22 109.585 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.604 ' CH2' HD23 ' A' ' 77' ' ' LEU . 4.1 p-90 -148.84 159.37 44.23 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.23 -0.895 . . . . 0.4 110.325 -170.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' LEU . 8.1 pt-20 -96.23 127.24 42.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.377 0.608 . . . . 2.4 110.944 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -112.86 134.63 54.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.269 -0.878 . . . . 0.76 110.078 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 29' ' ' ILE . 5.9 p -97.95 120.6 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.195 0.521 . . . . 0.96 110.318 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.505 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.6 t -114.66 128.84 71.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.024 -0.534 . . . . 0.31 110.204 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 1.012 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 91.0 mtt180 -90.77 119.03 30.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.255 -0.429 . . . . 3.03 109.882 177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG11 ' HE1' ' A' ' 50' ' ' MET . 39.7 t -102.93 124.68 57.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 120.704 0.288 . . . . 0.46 111.129 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -97.65 132.05 43.65 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.545 -0.909 . . . . 0.89 108.545 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.662 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 82.8 m-70 -106.71 128.56 54.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.864 0.364 . . . . 0.99 111.742 -171.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -68.6 96.0 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.085 -0.961 . . . . 1.79 110.972 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 11.7 t30 169.7 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.977 -1.011 . . . . 4.01 109.175 -178.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.15 29.53 1.34 Allowed Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.204 -0.907 . . . . 2.95 111.667 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 24.1 mm-40 -91.36 -176.45 4.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.58 0.229 . . . . 6.14 110.501 -177.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -97.34 -174.65 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.075 0.464 . . . . 3.74 111.391 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -84.82 101.6 12.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.485 -0.78 . . . . 1.75 110.914 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -78.45 111.33 14.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.23 -0.655 . . . . 0.66 109.23 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 1.012 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 42.7 mt-10 -99.33 102.1 13.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.453 0.644 . . . . 2.34 110.473 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' ' HG2' ' A' ' 49' ' ' GLN . 39.3 mm -96.29 140.31 17.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.026 -0.988 . . . . 0.44 111.241 -174.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m -103.38 108.41 19.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.209 -0.45 . . . . 0.51 109.787 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 13' ' ' GLU . 94.3 mt -108.46 138.36 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.811 0.339 . . . . 0.52 111.192 -177.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 32' ' ' ARG . 5.5 tpp180 -92.72 110.52 21.96 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.973 -0.751 . . . . 3.71 108.973 175.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -130.63 164.29 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.709 -0.678 . . . . 0.43 111.327 -171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 p -115.42 159.29 21.32 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.208 -0.664 . . . . 1.52 109.208 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.27 -25.92 68.86 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.751 -0.738 . . . . 0.49 112.928 -177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.09 7.31 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.68 0.276 . . . . 2.21 111.598 -176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' HD13 ' A' ' 77' ' ' LEU . 57.8 tp -83.99 123.49 30.05 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.649 -0.5 . . . . 0.3 109.649 176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.89 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 34.3 p-80 -78.32 151.73 32.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.441 -0.345 . . . . 0.44 110.798 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 70' ' ' LEU . 26.5 mm -50.3 -40.73 18.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.528 -0.76 . . . . 0.26 113.027 -173.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.44 -36.07 75.25 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.058 -0.592 . . . . 0.27 113.056 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.84 -29.91 60.36 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.734 -0.746 . . . . 0.37 111.865 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 77' ' ' LEU . 40.3 t -66.58 -47.12 84.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.609 0.243 . . . . 0.31 110.492 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.14 -36.82 78.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.26 110.552 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.4 tp -67.08 -38.66 86.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.913 -0.585 . . . . 1.02 110.427 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -63.93 -31.01 72.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.22 111.489 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.9 mm? -58.94 -52.56 65.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.96 110.084 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.29 -42.66 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.974 -0.557 . . . . 0.65 110.538 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.54 -49.48 77.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.606 -0.725 . . . . 2.36 111.236 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HG2' ' CG2' ' A' ' 29' ' ' ILE . 5.5 tp-100 -67.98 -43.73 78.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 1.34 111.375 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.588 ' HB3' HG13 ' A' ' 52' ' ' ILE . 72.4 mtm -71.73 -50.76 27.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.994 -0.282 . . . . 1.03 111.553 -176.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 49.83 68.73 0.7 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.344 0.592 . . . . 1.95 109.805 -173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.588 HG13 ' HB3' ' A' ' 50' ' ' MET . 48.9 mt -110.99 143.09 21.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.896 -0.593 . . . . 1.56 110.59 -175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.35 84.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 2.71 112.154 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -169.16 148.94 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.715 . . . . 3.75 109.198 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -87.15 121.24 29.33 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.004 0.43 . . . . 2.95 110.972 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -87.41 69.3 9.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.724 -0.671 . . . . 2.18 109.931 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.9 m -65.02 -32.55 74.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.885 . . . . 2.67 110.795 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -146.51 129.99 16.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.77 109.514 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 52.4 p90 -153.21 149.01 27.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.384 -0.371 . . . . 4.26 110.356 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 155.17 32.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.269 -0.423 . . . . 0.66 110.626 177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 88' ' ' LEU . 13.8 tp -92.13 135.93 33.59 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.836 -0.431 . . . . 1.22 109.836 -178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.502 ' CZ2' ' HA ' ' A' ' 67' ' ' ARG . 38.6 t-105 -122.88 121.11 35.41 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.02 -0.536 . . . . 0.56 110.387 -175.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 88' ' ' LEU . 4.5 t90 -89.38 109.03 19.98 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.379 -0.971 . . . . 0.35 108.379 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.71 -35.33 78.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 2.31 111.072 -172.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.86 -5.71 49.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.911 -0.586 . . . . 1.69 111.495 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -125.7 -8.18 6.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.559 -0.291 . . . . 1.1 111.154 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 62' ' ' TRP . 14.1 mtp180 49.36 54.87 10.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.432 0.634 . . . . 3.52 110.606 -173.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.8 m -137.27 148.18 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 1.59 110.872 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -95.83 121.98 38.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.217 -1.031 . . . . 0.57 108.217 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD13 HD12 ' A' ' 39' ' ' ILE . 60.9 mt -82.06 102.25 10.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.926 -0.768 . . . . 0.61 108.926 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.62 -1.12 9.06 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.376 -0.829 . . . . 0.73 109.686 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -79.5 74.12 6.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.452 -0.794 . . . . 1.95 108.869 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 p -68.58 -12.74 61.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.363 -0.835 . . . . 0.64 111.881 -174.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -84.39 -7.77 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.208 0.528 . . . . 2.94 109.982 176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -95.87 145.85 25.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 0.76 109.902 177.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.89 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.1 p -96.67 174.5 6.79 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.328 -0.396 . . . . 0.38 110.807 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 42' ' ' VAL . 4.7 mp -55.56 -51.29 67.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.62 110.565 174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.83 -37.32 86.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.467 -0.788 . . . . 1.49 110.755 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -67.5 -40.1 85.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.743 -0.662 . . . . 1.69 111.023 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -76.41 -37.69 56.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.425 -0.352 . . . . 0.94 110.96 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.41 -2.25 29.45 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.658 -0.782 . . . . 0.35 112.485 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -77.95 114.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.192 0.52 . . . . 0.33 110.108 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -113.43 -169.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.7 -0.682 . . . . 2.37 110.975 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.63 -24.91 66.37 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.107 0.78 . . . . 0.88 113.107 -170.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -97.36 5.48 49.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.358 . . . . 2.14 111.189 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.93 129.83 34.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.559 -0.291 . . . . 0.48 110.681 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -78.54 122.09 25.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.744 -0.465 . . . . 1.92 109.744 176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.576 HD21 HD21 ' A' ' 61' ' ' LEU . 21.1 tp -124.15 144.25 50.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.759 -171.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.551 HD12 ' O ' ' A' ' 17' ' ' ARG . 24.9 tp -122.27 146.0 47.7 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.39 109.952 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' HB3' HG22 ' A' ' 18' ' ' VAL . 18.7 t80 -123.83 110.9 15.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.251 -0.648 . . . . 0.4 109.251 175.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 t -142.33 148.33 47.16 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.004 -0.543 . . . . 0.6 111.196 -173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HG3' ' HB2' ' A' ' 21' ' ' ALA . 13.5 Cg_endo -58.6 144.34 97.53 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.147 1.898 . . . . 1.04 110.743 170.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -100.88 -16.5 17.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.022 0.439 . . . . 1.46 110.454 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -139.33 109.54 6.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 4.6 110.383 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.86 100.25 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.134 0.492 . . . . 6.92 110.148 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 57.7 ttp . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.454 -0.784 . . . . 8.34 110.123 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.364 -0.294 . . . . 26.14 112.364 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 68.5 mt -66.69 -44.49 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.81 0.338 . . . . 24.82 110.389 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -127.48 116.15 21.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 23.21 110.571 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.89 96.76 1.07 Allowed 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.862 2.375 . . . . 22.08 111.049 175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -70.11 96.09 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.189 -0.459 . . . . 19.82 111.118 -175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 23.9 m -100.93 103.49 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.663 -0.699 . . . . 18.37 110.094 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -90.39 177.98 6.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.021 -0.536 . . . . 17.23 109.99 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.6 mm? 56.82 -152.21 0.39 Allowed 'General case' 0 N--CA 1.463 0.225 0 O-C-N 123.248 0.343 . . . . 14.96 110.445 -175.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 17.1 m -117.84 145.82 44.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.616 0.246 . . . . 14.83 110.716 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -89.4 -47.34 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.042 -0.725 . . . . 12.3 109.042 173.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 72.13 -107.65 2.26 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.547 -0.751 . . . . 10.54 113.537 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.08 123.54 27.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.73 0.3 . . . . 8.98 111.651 -173.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' HG ' HG22 ' A' ' 8' ' ' THR . 65.6 tp 68.43 -78.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.209 -0.905 . . . . 9.0 111.444 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.69 HG22 ' HG ' ' A' ' 7' ' ' LEU . 15.1 t -176.72 157.86 1.61 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.703 -0.48 . . . . 5.9 109.703 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -151.41 79.87 1.29 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.056 0.455 . . . . 4.74 110.488 176.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.7 94.58 1.03 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.869 -0.605 . . . . 1.97 109.823 176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 32' ' ' ARG . 5.1 p -133.44 120.77 21.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.509 -0.769 . . . . 1.22 110.242 -176.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.646 ' CH2' HD23 ' A' ' 77' ' ' LEU . 2.2 p-90 -128.01 155.67 43.93 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.153 -0.931 . . . . 0.4 110.688 -176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -84.73 108.61 17.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.148 0.499 . . . . 2.4 110.978 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 54.7 tp -101.99 111.12 23.27 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.505 -0.771 . . . . 0.76 109.471 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 4.6 p -87.49 119.8 35.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.375 0.607 . . . . 0.96 110.102 178.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 41.7 t -112.76 124.23 69.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.624 -0.717 . . . . 0.31 110.141 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.96 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 97.6 mtt180 -84.09 111.65 19.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.211 -0.45 . . . . 3.03 110.092 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -87.04 124.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.481 -0.327 . . . . 0.46 110.565 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.825 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.9 t70 -96.92 119.6 35.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.762 -0.829 . . . . 0.89 108.762 175.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 25' ' ' GLN . 88.8 m-70 -95.58 123.98 39.39 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.201 -0.454 . . . . 0.99 111.48 -173.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 92.86 0.23 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.655 -0.702 . . . . 1.79 109.486 174.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -172.84 -41.09 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.423 -0.808 . . . . 4.01 109.522 -173.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.99 73.74 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.576 -0.821 . . . . 2.95 112.972 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 51.74 90.22 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.012 0.745 . . . . 6.14 113.012 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HB2' ' HB2' ' A' ' 20' ' ' HIS . 16.1 mm-40 -140.18 120.05 13.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.566 -0.743 . . . . 3.74 109.538 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -109.28 103.26 12.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.342 0.401 . . . . 1.75 111.111 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 m -101.63 119.36 38.66 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.498 -0.556 . . . . 0.66 109.498 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.96 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 47.8 mt-10 -97.67 101.65 13.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.235 0.541 . . . . 2.34 110.145 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.8 122.79 50.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.496 -0.774 . . . . 0.44 110.212 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 11.9 m -97.02 103.68 15.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.1 0.476 . . . . 0.51 110.191 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -103.86 139.75 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.048 -0.524 . . . . 0.52 110.064 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' HG2' ' HB2' ' A' ' 11' ' ' SER . 29.8 ttp180 -92.54 109.59 21.0 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.657 -0.868 . . . . 3.71 108.657 175.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 m -124.89 164.6 23.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.837 -0.62 . . . . 0.43 111.394 -170.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 p -111.04 159.43 17.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.719 -0.673 . . . . 1.52 110.362 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.22 72.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.842 -0.694 . . . . 0.49 112.741 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -91.02 14.72 13.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 2.21 111.769 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 77' ' ' LEU . 50.2 tp -89.88 124.29 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.499 -0.556 . . . . 0.3 109.499 174.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.896 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.8 p-80 -78.18 149.1 33.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.691 -0.232 . . . . 0.44 111.015 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 20.7 mm -51.24 -41.94 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.678 -0.692 . . . . 0.26 112.715 -173.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.66 -36.42 78.51 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.818 -0.706 . . . . 0.27 112.617 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.69 -6.25 88.69 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.984 -0.626 . . . . 0.37 111.883 -178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 77' ' ' LEU . 60.3 t -90.24 -50.66 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.877 -0.416 . . . . 0.31 109.877 176.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.565 ' HA ' HD23 ' A' ' 46' ' ' LEU . 45.9 mtm -59.84 -34.84 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.963 -0.562 . . . . 1.26 110.659 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.705 -0.679 . . . . 1.02 109.984 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -66.37 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.385 -0.371 . . . . 1.22 111.261 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 43' ' ' MET . 3.4 mm? -60.25 -52.33 65.73 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.922 0.391 . . . . 0.96 110.082 174.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.9 t -66.41 -39.86 85.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.65 110.635 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -61.45 -43.52 98.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 2.36 110.999 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -67.8 -49.72 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.34 111.365 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 50' ' ' MET . 67.1 mtm -75.42 -48.34 23.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.325 . . . . 1.03 111.52 -175.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.9 t30 54.71 81.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.733 0.645 . . . . 1.95 110.722 -173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 HD12 ' HE1' ' A' ' 20' ' ' HIS . 68.5 mt -130.05 130.23 65.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.781 -0.645 . . . . 1.56 109.833 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.37 94.98 1.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.092 -0.504 . . . . 2.71 110.971 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -138.81 -175.03 4.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.878 -0.601 . . . . 3.75 109.441 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.77 109.29 20.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.559 -0.534 . . . . 2.95 109.559 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -111.66 43.19 1.57 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.026 -0.534 . . . . 2.18 109.684 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -67.95 -51.01 52.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.101 0.476 . . . . 2.67 110.728 -178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -132.76 101.98 5.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.029 0.918 . . . . 2.77 110.375 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.683 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 42.4 p90 -129.46 157.79 41.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.968 -1.015 . . . . 4.26 109.858 -178.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' HB3' ' HE3' ' A' ' 69' ' ' TRP . . . -156.51 165.25 36.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 0.66 110.86 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 88' ' ' LEU . 10.5 tp -89.24 136.0 33.26 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.705 -0.679 . . . . 1.22 109.266 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 55.9 t-105 -113.08 112.4 23.78 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.024 0.44 . . . . 0.56 110.385 -177.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -82.58 109.5 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.228 -1.027 . . . . 0.35 108.228 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -67.94 -37.02 81.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.035 0.445 . . . . 2.31 111.393 -172.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.75 -32.51 73.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.051 -0.522 . . . . 1.69 111.317 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.13 -15.65 19.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.447 -0.342 . . . . 1.1 111.142 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 53.71 65.14 1.6 Allowed 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.108 -0.701 . . . . 3.52 109.108 -172.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t -148.04 147.46 29.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.618 -0.719 . . . . 1.59 110.731 -170.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.469 ' HE3' ' HB3' ' A' ' 60' ' ' ALA . 90.4 m95 -97.58 122.77 41.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 4.1 mm? -74.76 104.05 5.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.61 109.927 178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.7 mt -107.94 -9.45 15.69 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.472 -0.785 . . . . 0.73 108.94 176.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD2' ' CE3' ' A' ' 75' ' ' TRP . 50.9 mtmt -78.85 62.49 3.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.902 -1.045 . . . . 1.95 109.309 172.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.773 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 40.6 p -69.51 -24.52 63.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 0.64 111.305 -175.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -79.94 -13.74 59.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 2.94 110.416 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 13.4 m0 -86.8 149.94 24.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.559 -0.534 . . . . 0.76 109.559 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.896 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 81.6 p -88.94 170.76 10.41 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.453 -0.339 . . . . 0.38 111.147 -176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 42' ' ' VAL . 3.6 mp -56.48 -46.51 80.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.62 110.801 176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -71.13 -32.34 68.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.737 -0.665 . . . . 1.49 110.646 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.497 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 57.4 tptt -69.54 -35.16 75.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 1.69 110.646 177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.66 -23.79 36.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.954 0.407 . . . . 0.94 110.503 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.74 18.37 51.69 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.069 -0.586 . . . . 0.35 112.459 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.85 109.1 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 0.33 110.774 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -99.87 -170.09 1.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.282 -0.872 . . . . 2.37 110.213 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.45 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -74.09 -4.37 35.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.88 111.163 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -85.79 -14.63 44.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.95 -0.568 . . . . 2.14 110.576 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.52 135.65 34.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.843 -0.617 . . . . 0.48 111.896 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.51 109.48 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.91 -0.774 . . . . 1.92 108.91 169.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.694 HD21 HD21 ' A' ' 61' ' ' LEU . 14.8 tp -118.17 129.91 55.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.176 0.513 . . . . 0.35 110.996 -173.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 17' ' ' ARG . 9.0 tp -114.9 152.99 31.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.324 -0.853 . . . . 0.39 108.898 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -129.83 111.47 12.63 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.642 -0.503 . . . . 0.4 109.642 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.825 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 4.6 t -140.86 143.28 31.2 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 116.394 -0.366 . . . . 0.6 110.456 -174.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.683 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 26.1 Cg_exo -62.84 132.58 37.86 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.262 1.974 . . . . 1.04 111.356 175.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -83.83 20.74 1.41 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.223 0.535 . . . . 1.46 109.937 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -59.99 121.07 10.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.13 -0.941 . . . . 4.6 110.185 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.84 ' H ' ' HD2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -107.54 135.86 48.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.735 -0.666 . . . . 6.92 109.974 -176.368 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.324 -0.846 . . . . 8.34 109.406 179.296 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.306 -0.318 . . . . 26.14 112.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 39.2 pt -112.02 150.78 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.739 0.304 . . . . 24.82 110.407 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -106.03 112.97 64.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.18 -0.464 . . . . 23.21 110.702 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.3 118.61 4.0 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.069 2.512 . . . . 22.08 111.694 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -98.51 133.92 42.2 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.972 -0.381 . . . . 19.82 109.972 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 8.9 p -80.38 137.04 36.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.009 0.433 . . . . 18.37 111.459 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.02 -168.7 1.6 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.91 -0.586 . . . . 17.23 109.511 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.35 103.89 4.18 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.533 -0.543 . . . . 14.96 109.533 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.5 m -55.96 -36.7 68.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 14.83 112.367 -174.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.2 m -131.54 19.8 4.73 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.862 -0.335 . . . . 12.3 111.155 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 60.4 42.35 98.89 Favored Glycine 0 C--N 1.331 0.295 0 N-CA-C 109.62 -1.392 . . . . 10.54 109.62 -169.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.35 -82.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 113.922 -1.139 . . . . 8.98 113.83 -166.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.4 tp -158.01 145.49 18.29 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.727 -0.389 . . . . 9.0 111.138 -175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -80.84 141.63 34.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.618 -0.719 . . . . 5.9 109.683 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -94.95 93.87 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.052 -0.259 . . . . 4.74 111.079 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 34' ' ' SER . . . 61.41 100.43 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.865 0.728 . . . . 1.97 112.588 174.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 15.4 m -110.77 97.19 6.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.206 0.527 . . . . 1.22 110.439 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.511 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -108.85 175.94 5.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.706 -0.679 . . . . 0.4 111.591 -174.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -90.22 115.22 27.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 2.4 110.223 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -113.06 108.68 17.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.76 110.305 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -87.16 118.97 34.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.077 0.465 . . . . 0.96 109.857 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' HB ' HD11 ' A' ' 46' ' ' LEU . 43.2 t -114.95 127.32 72.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.863 -0.608 . . . . 0.31 109.692 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.778 ' HG2' ' HG2' ' A' ' 28' ' ' GLU . 93.5 mtt180 -88.46 110.61 20.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.801 0.334 . . . . 3.03 110.507 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' PHE . 46.6 t -93.09 113.14 27.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.46 110.398 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.781 ' HB2' ' HG3' ' A' ' 26' ' ' GLN . 27.7 t70 -101.12 128.71 47.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.924 0.393 . . . . 0.89 110.078 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.5 ' HB2' ' HG3' ' A' ' 24' ' ' GLU . 64.3 m-70 -97.9 112.5 24.4 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.517 -0.92 . . . . 0.99 108.517 176.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 96.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.6 0.562 . . . . 1.79 111.416 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 179.79 -41.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.602 -0.726 . . . . 4.01 109.502 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.7 52.12 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.603 -0.726 . . . . 2.95 112.168 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' HG3' ' HB2' ' A' ' 20' ' ' HIS . 6.6 mm-40 -105.28 166.12 10.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.042 0.449 . . . . 6.14 111.036 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.52 28.51 8.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.567 0.699 . . . . 3.74 110.045 176.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.781 ' HG3' ' HB2' ' A' ' 19' ' ' ASP . 1.2 mp0 62.56 115.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 113.746 -1.57 . . . . 1.75 112.358 -177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.9 m -78.65 132.74 37.17 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.251 -0.648 . . . . 0.66 109.251 174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.778 ' HG2' ' HG2' ' A' ' 17' ' ' ARG . 37.7 mt-10 -97.88 104.85 16.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.328 0.585 . . . . 2.34 110.523 -176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mm -101.53 121.03 51.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.347 -0.842 . . . . 0.44 110.437 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -93.84 104.03 16.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.077 0.465 . . . . 0.51 109.979 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.2 mt -95.38 144.67 25.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.716 -0.674 . . . . 0.52 111.156 -176.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -92.35 108.33 19.88 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.746 -1.205 . . . . 3.71 107.746 170.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 11' ' ' SER . 25.0 m -129.51 160.39 40.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.048 -0.523 . . . . 0.43 110.724 -173.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.627 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 13.4 m -125.37 162.02 25.72 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.223 -0.444 . . . . 1.52 110.675 -176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -65.83 -29.36 74.9 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.922 -0.656 . . . . 0.49 112.032 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -84.31 0.9 47.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.955 0.407 . . . . 2.21 110.91 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 77' ' ' LEU . 51.5 tp -84.86 130.66 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.941 -0.392 . . . . 0.3 109.941 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.74 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 54.7 p-80 -84.17 148.7 26.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.44 110.825 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.585 HG21 ' HB3' ' A' ' 70' ' ' LEU . 15.7 mm -53.78 -37.12 31.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 C-N-CA 123.096 0.559 . . . . 0.26 112.283 -175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.95 -26.79 61.26 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.196 -0.526 . . . . 0.27 112.56 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . . . -82.76 -31.47 29.55 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.714 -0.755 . . . . 0.37 111.74 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 77' ' ' LEU . 68.0 t -67.65 -51.3 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.337 0.113 . . . . 0.31 111.029 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.621 ' HA ' HD23 ' A' ' 46' ' ' LEU . 43.6 mtm -62.37 -30.87 71.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.958 0.409 . . . . 1.26 110.731 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 tp -70.73 -30.86 67.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.914 -0.584 . . . . 1.02 110.489 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 68.3 mttm -66.7 -29.16 69.09 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.3 -0.409 . . . . 1.22 111.296 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' A' ' 43' ' ' MET . 2.7 mm? -60.66 -53.21 60.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 0.96 110.0 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.68 -34.86 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.4 0.619 . . . . 0.65 110.05 177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 37.2 tt0 -66.4 -32.37 73.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.011 -0.995 . . . . 2.36 111.519 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 12.2 mm100 -72.05 -54.47 9.75 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.114 0.413 . . . . 1.34 112.114 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -77.16 -14.51 59.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.644 -0.422 . . . . 1.03 110.906 -177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 56.08 67.77 0.96 Allowed 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.344 0.592 . . . . 1.95 110.455 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.2 mt -121.96 119.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.422 -0.808 . . . . 1.56 109.595 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.33 37.82 2.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.23 0.538 . . . . 2.71 110.538 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -145.35 133.55 21.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.727 -0.669 . . . . 3.75 111.601 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 53.88 63.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.504 0.927 . . . . 2.95 113.504 171.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -111.67 -89.82 0.5 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.194 -0.669 . . . . 2.18 109.194 168.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.3 t 61.04 -77.55 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.806 0.692 . . . . 2.67 111.7 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.24 101.89 14.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.195 -0.457 . . . . 2.77 109.783 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -151.72 146.16 25.55 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.759 -0.655 . . . . 4.26 110.042 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.48 162.72 38.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.66 110.464 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 88' ' ' LEU . 14.7 tp -99.27 139.08 35.45 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.029 -0.532 . . . . 1.22 110.251 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -121.14 118.01 28.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.959 -0.564 . . . . 0.56 110.678 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.441 ' NE1' ' HB2' ' A' ' 65' ' ' GLN . 7.7 t90 -95.67 110.2 22.35 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.985 -0.746 . . . . 0.35 108.985 177.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.24 -22.69 61.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.87 0.693 . . . . 2.31 112.87 -170.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' NE1' ' A' ' 63' ' ' TRP . 97.7 mt-30 -87.13 11.53 13.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.274 0.559 . . . . 1.69 111.214 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -142.39 -32.7 0.49 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.449 -0.796 . . . . 1.1 109.188 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 61.96 83.78 0.15 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.509 -1.223 . . . . 3.52 110.532 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.8 p -169.65 150.62 4.09 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 113.543 -1.662 . . . . 1.59 108.76 -171.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.81 122.12 37.1 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.923 -0.769 . . . . 0.57 108.923 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.585 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.8 mm? -69.82 102.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.197 0.522 . . . . 0.61 109.77 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -113.7 3.05 15.42 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.506 -0.77 . . . . 0.73 109.035 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 2.5 mptp? -82.17 61.22 5.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.678 -1.146 . . . . 1.95 108.645 174.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.489 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 6.1 p -66.28 -28.04 68.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.578 -0.737 . . . . 0.64 112.26 -172.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -86.01 -13.16 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 2.94 110.596 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 11.1 m0 -78.86 146.58 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.924 -0.398 . . . . 0.76 109.924 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.74 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 76.0 p -88.02 163.37 16.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.379 -0.373 . . . . 0.38 110.843 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.789 HD11 HG21 ' A' ' 42' ' ' VAL . 6.4 mp -57.36 -41.53 80.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 0.62 110.999 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -70.92 -31.08 67.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.491 -0.777 . . . . 1.49 110.632 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.86 -36.3 56.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.42 -0.355 . . . . 1.69 110.492 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 80.5 m -71.74 -43.83 65.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.94 110.586 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.35 8.95 37.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.35 112.808 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.4 p -81.42 128.92 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 110.042 -0.355 . . . . 0.33 110.042 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -112.1 178.25 4.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.053 -0.522 . . . . 2.37 111.35 -175.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . . . -67.19 -31.58 72.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.917 -0.583 . . . . 0.88 111.379 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.22 0.09 38.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 2.14 111.173 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.7 122.02 32.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.401 -0.363 . . . . 0.48 110.862 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -61.87 116.23 4.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.379 -0.373 . . . . 1.92 110.104 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.703 HD21 HD21 ' A' ' 61' ' ' LEU . 12.1 tp -120.36 119.08 32.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.771 -0.649 . . . . 0.35 110.364 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.6 tp -108.35 138.13 45.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.732 -0.667 . . . . 0.39 109.911 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 11.8 t80 -114.5 108.69 17.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.827 -0.805 . . . . 0.4 108.827 176.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 t -142.51 150.85 55.9 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.873 -0.603 . . . . 0.6 110.292 -173.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.52 147.0 81.24 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.422 2.081 . . . . 1.04 112.113 174.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.25 -0.61 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.942 -0.572 . . . . 1.46 109.858 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -56.18 144.73 28.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.16 -0.927 . . . . 4.6 110.747 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -61.61 100.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.839 -0.619 . . . . 6.92 110.651 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.613 -0.708 . . . . 8.34 109.634 -179.168 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.217 -0.753 . . . . 26.14 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 5.1 tp -99.24 91.99 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.901 0.858 . . . . 24.82 108.879 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 14.3 m-20 -108.29 138.65 20.23 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.485 -0.78 . . . . 23.21 110.488 -172.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 2.7 Cg_endo -79.08 103.22 1.61 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.977 2.452 . . . . 22.08 112.287 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -111.99 -14.38 13.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.059 -0.519 . . . . 19.82 109.713 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 26.7 m -66.44 -51.65 54.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 18.37 110.923 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt -107.54 129.25 54.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.283 -0.417 . . . . 17.23 110.247 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 tp -118.63 96.85 5.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.232 0.539 . . . . 14.96 110.176 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 m -125.72 106.89 10.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.769 -0.65 . . . . 14.83 109.957 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -125.84 11.92 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.892 -0.595 . . . . 12.3 110.353 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 106.56 82.54 1.53 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.78 -0.724 . . . . 10.54 111.897 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.64 106.29 8.2 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.862 -0.421 . . . . 8.98 109.862 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.02 117.67 6.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.331 0.586 . . . . 9.0 111.693 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -132.54 118.6 19.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.565 -0.743 . . . . 5.9 109.848 176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -138.8 150.68 46.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.538 -0.301 . . . . 4.74 110.497 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.4 23.75 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.849 -0.614 . . . . 1.97 110.804 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 m -102.49 145.22 29.88 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.498 -0.774 . . . . 1.22 111.338 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.605 ' CH2' HD23 ' A' ' 77' ' ' LEU . 1.3 p-90 -127.98 162.01 27.8 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.187 -0.915 . . . . 0.4 110.094 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.2 109.77 21.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.587 0.708 . . . . 2.4 111.081 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.718 HD12 HG22 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -100.64 113.72 26.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.217 -1.031 . . . . 0.76 108.217 175.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 3.7 p -81.85 115.36 24.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 108.644 -0.873 . . . . 0.96 108.644 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG22 HD12 ' A' ' 14' ' ' LEU . 41.4 t -107.07 116.87 51.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.68 -0.691 . . . . 0.31 109.282 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HG2' ' HG3' ' A' ' 28' ' ' GLU . 80.3 mtp180 -85.24 111.66 20.04 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.473 -0.566 . . . . 3.03 109.473 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' GLN . 48.5 t -85.85 115.07 26.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.795 -0.639 . . . . 0.46 110.263 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.617 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 15.9 t70 -95.93 104.75 16.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.135 -0.691 . . . . 0.89 109.135 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -74.12 93.38 2.28 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.453 -0.943 . . . . 0.99 108.453 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -51.18 131.65 27.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.23 -0.896 . . . . 1.79 112.202 -172.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 94.0 m-20 76.65 -8.87 1.59 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.319 -0.855 . . . . 4.01 111.298 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.01 -22.8 12.42 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.597 -1.001 . . . . 2.95 110.597 172.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 73.86 -8.94 1.31 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.792 0.837 . . . . 6.14 112.75 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -84.3 125.6 32.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.757 0.313 . . . . 3.74 110.434 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.601 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 69.9 mt-30 -108.4 126.3 52.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.071 -0.513 . . . . 1.75 109.968 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -104.1 139.17 39.57 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.973 -0.558 . . . . 0.66 109.983 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' ' HG2' ' A' ' 17' ' ' ARG . 4.8 mp0 -96.66 103.09 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.209 0.528 . . . . 2.34 110.176 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 HG23 ' HG2' ' A' ' 49' ' ' GLN . 49.3 mm -106.18 104.92 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.598 -0.728 . . . . 0.44 109.978 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.709 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 7.3 m -87.56 103.69 15.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.014 0.435 . . . . 0.51 110.122 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 69.0 mt -97.56 137.53 36.35 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.962 -0.563 . . . . 0.52 111.072 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 32' ' ' ARG . 42.9 ttm180 -92.58 108.27 19.85 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.271 -1.011 . . . . 3.71 108.271 174.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.94 147.38 31.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.779 -0.646 . . . . 0.43 111.85 -169.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.9 m -90.16 159.83 16.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.506 -0.77 . . . . 1.52 110.538 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.06 -25.92 70.04 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.591 -0.814 . . . . 0.49 111.527 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.5 -1.1 49.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.211 0.529 . . . . 2.21 110.666 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' O ' HD13 ' A' ' 77' ' ' LEU . 49.4 tp -79.65 132.18 36.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.691 -0.485 . . . . 0.3 109.691 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.783 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 51.7 p-80 -78.49 147.41 33.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.339 -0.392 . . . . 0.44 110.698 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' A' ' 70' ' ' LEU . 13.5 mm -51.92 -43.77 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 123.063 0.545 . . . . 0.26 112.042 -176.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.479 ' HA2' ' SD ' ' A' ' 43' ' ' MET . . . -57.98 -28.14 60.52 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 121.066 -0.587 . . . . 0.27 112.768 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.13 -42.33 58.61 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.143 -0.783 . . . . 0.37 111.143 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 77' ' ' LEU . 57.8 t -62.83 -43.5 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.978 -0.378 . . . . 0.31 109.978 176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.479 ' SD ' ' HA2' ' A' ' 40' ' ' GLY . 76.2 mtp -52.94 -43.44 66.3 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.57 -0.741 . . . . 1.26 111.012 178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.05 -36.16 66.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.039 -0.528 . . . . 1.02 110.729 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 66.0 mttm -68.65 -21.39 64.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.588 0.588 . . . . 1.22 112.588 -176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 2.4 mm? -61.62 -47.66 84.43 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.386 -0.526 . . . . 0.96 109.86 171.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.12 -33.89 48.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.013 177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.731 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 31.0 tt0 -59.27 -50.11 75.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.92 -0.582 . . . . 2.36 110.757 175.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HG2' HG23 ' A' ' 29' ' ' ILE . 8.4 tp-100 -72.45 -52.86 14.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.714 -0.676 . . . . 1.34 111.663 -176.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.523 ' HE1' HG11 ' A' ' 18' ' ' VAL . 7.0 ttp -67.53 -27.82 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.612 -0.514 . . . . 1.03 109.612 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 57.77 75.49 0.37 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.018 -0.992 . . . . 1.95 111.311 172.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.489 ' HB ' ' HZ2' ' A' ' 56' ' ' TRP . 46.3 mt -136.88 100.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.676 -0.693 . . . . 1.56 110.177 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.62 100.75 9.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.838 0.352 . . . . 2.71 110.45 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -155.93 -174.36 4.92 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.572 -0.529 . . . . 3.75 109.572 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.46 99.21 8.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.812 -0.44 . . . . 2.95 109.812 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.489 ' HZ2' ' HB ' ' A' ' 52' ' ' ILE . 94.8 m95 -89.21 -29.39 19.31 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.529 -0.545 . . . . 2.18 109.529 176.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.8 m 66.5 -71.56 0.09 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.152 -0.931 . . . . 2.67 111.361 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD2' ' HG2' ' A' ' 93' ' ' GLN . 4.7 p-10 -141.29 137.83 32.74 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.091 -0.707 . . . . 2.77 109.091 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 90' ' ' PHE . 35.5 p90 -148.98 143.21 25.98 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.716 -0.674 . . . . 4.26 110.181 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.51 171.49 18.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.498 -0.319 . . . . 0.66 110.603 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.821 HD12 ' HG ' ' A' ' 88' ' ' LEU . 3.2 mm? -92.8 134.08 35.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.096 0.474 . . . . 1.22 110.99 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -105.53 112.27 25.29 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.474 -0.785 . . . . 0.56 109.608 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.42 ' HB2' HD21 ' A' ' 70' ' ' LEU . 5.3 t90 -91.82 109.04 20.36 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.671 -0.863 . . . . 0.35 108.671 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -67.68 -32.91 73.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 2.31 111.062 -173.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -72.98 -9.65 58.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.975 -0.557 . . . . 1.69 111.623 -175.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.81 -12.29 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.648 -0.251 . . . . 1.1 111.363 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 56.83 38.39 29.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.07 0.462 . . . . 3.52 110.476 -174.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 t -132.3 148.76 52.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.93 -0.577 . . . . 1.59 110.423 -173.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.452 ' HH2' HG23 ' A' ' 91' ' ' THR . 91.4 m95 -96.01 130.19 43.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.1 -0.5 . . . . 0.57 109.665 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.645 ' HB3' HG21 ' A' ' 39' ' ' ILE . 3.9 mm? -75.55 102.74 5.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.154 0.502 . . . . 0.61 110.076 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.6 mt -117.34 9.31 13.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 0.73 109.119 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 3.1 mptp? -80.55 69.96 7.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.86 -1.064 . . . . 1.95 109.045 177.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -68.34 -26.56 65.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.716 -0.675 . . . . 0.64 111.801 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -85.14 -28.65 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 2.94 110.095 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.723 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 12.1 m95 -71.36 143.54 50.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.174 0.512 . . . . 0.76 110.855 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.783 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 22.2 p -87.85 162.21 17.09 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.822 177.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.605 HD23 ' CH2' ' A' ' 12' ' ' TRP . 6.7 mp -56.41 -48.24 77.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.094 -0.503 . . . . 0.62 111.465 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.03 -31.57 71.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.507 . . . . 1.49 111.056 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 50.3 tttp -74.71 -38.81 62.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.771 0.32 . . . . 1.69 110.466 178.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 45.2 t -64.11 -43.45 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.94 110.511 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.0 -9.5 18.37 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.638 -0.791 . . . . 0.35 112.578 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.0 p -81.11 112.7 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.446 0.641 . . . . 0.33 110.852 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -105.07 -173.61 2.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.568 -0.742 . . . . 2.37 110.41 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -68.87 -14.51 63.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.88 111.679 -175.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.33 11.12 24.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 2.14 111.588 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.67 149.5 28.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.513 0.197 . . . . 0.48 111.062 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -84.77 117.69 23.99 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.823 -0.436 . . . . 1.92 109.823 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.821 ' HG ' HD12 ' A' ' 61' ' ' LEU . 13.2 tp -123.84 117.53 25.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.108 0.48 . . . . 0.35 110.544 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 17' ' ' ARG . 23.8 tp -104.6 134.92 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.723 -0.671 . . . . 0.39 109.602 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 63.7 t80 -109.6 108.03 18.31 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.355 -0.538 . . . . 0.4 110.019 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.617 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 15.4 t -144.13 151.66 52.58 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.501 -0.555 . . . . 0.6 109.501 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.27 141.95 47.93 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.426 2.084 . . . . 1.04 111.889 173.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.408 ' HG2' ' OD2' ' A' ' 58' ' ' ASP . 9.7 pt20 -89.17 -13.0 39.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 1.46 110.104 -176.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.1 m80 68.78 26.52 6.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.19 -0.913 . . . . 4.6 112.338 172.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 95' ' ' LYS . 20.4 tptm -165.27 106.37 0.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.988 0.423 . . . . 6.92 110.806 175.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.252 -0.88 . . . . 8.34 109.756 177.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.747 -0.541 . . . . 26.14 111.747 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 39.2 pt -90.8 -29.73 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.845 0.355 . . . . 24.82 110.754 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 9.0 p-10 -84.24 120.19 74.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.074 -0.512 . . . . 23.21 111.145 -176.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' -3' ' ' ASP . 5.3 Cg_exo -80.87 -70.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.99 2.46 . . . . 22.08 111.664 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -137.09 78.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.582 . . . . 19.82 109.74 175.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 12.7 t -173.61 161.46 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.787 0.327 . . . . 18.37 110.664 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.542 ' H ' HD13 ' A' ' 2' ' ' LEU . 3.4 tpt -147.25 10.32 0.99 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.437 0.637 . . . . 17.23 109.905 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.542 HD13 ' H ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -135.41 165.99 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.967 -0.56 . . . . 14.96 111.107 -177.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -111.87 123.25 49.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.967 -0.561 . . . . 14.83 110.053 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.7 m 62.05 28.5 17.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.193 -0.458 . . . . 12.3 111.199 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.2 -32.43 55.94 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.891 -0.671 . . . . 10.54 112.081 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -84.63 156.15 21.68 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.983 -0.377 . . . . 8.98 109.983 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -128.38 -8.1 5.24 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.201 -0.454 . . . . 9.0 110.026 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -66.42 -24.85 66.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 5.9 111.074 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HB3' ' A' ' 34' ' ' SER . 50.4 m -92.59 -29.89 15.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.672 0.273 . . . . 4.74 110.874 176.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.26 49.34 11.27 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.836 -0.62 . . . . 1.97 109.878 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.666 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 14.6 m -91.08 146.18 24.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.22 111.138 -176.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.478 ' CH2' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -150.11 160.84 43.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.375 -0.829 . . . . 0.4 109.965 177.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -85.65 107.53 17.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.055 0.455 . . . . 2.4 110.809 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 84' ' ' ALA . 60.4 tp -103.34 122.61 45.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.781 -0.645 . . . . 0.76 110.233 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 30' ' ' THR . 6.4 p -93.44 119.41 41.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.356 0.598 . . . . 0.96 110.106 177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 46' ' ' LEU . 42.5 t -114.72 125.38 72.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.762 -0.654 . . . . 0.31 109.955 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 89' ' ' LEU . 98.4 mtt180 -84.23 122.16 28.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.167 -0.469 . . . . 3.03 109.962 177.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.419 HG11 ' HE1' ' A' ' 50' ' ' MET . 46.3 t -92.58 123.86 44.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 116.341 -0.391 . . . . 0.46 110.377 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.861 ' HB3' ' HB ' ' A' ' 91' ' ' THR . 20.3 t70 -95.96 113.92 25.59 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.522 -0.548 . . . . 0.89 109.522 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -87.06 141.83 28.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.561 -0.745 . . . . 0.99 110.279 -174.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.12 115.71 3.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.881 -0.599 . . . . 1.79 111.24 -174.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 66.47 15.27 10.06 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.431 -0.804 . . . . 4.01 110.751 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -116.88 126.4 6.97 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.899 -0.667 . . . . 2.95 112.119 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.83 -13.49 59.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 6.14 110.881 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -77.15 101.8 6.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.634 -0.712 . . . . 3.74 109.92 178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -98.45 112.44 24.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.913 -0.585 . . . . 1.75 109.702 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -78.12 136.49 37.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.71 -0.677 . . . . 0.66 110.672 -175.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -98.84 105.95 18.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.774 0.797 . . . . 2.34 110.272 179.433 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 49' ' ' GLN . 45.3 mm -100.6 116.53 44.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.55 -0.75 . . . . 0.44 110.484 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 15' ' ' VAL . 21.9 m -96.02 104.11 16.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.286 0.565 . . . . 0.51 109.803 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HG ' HG22 ' A' ' 29' ' ' ILE . 95.7 mt -104.17 141.91 35.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.487 -0.779 . . . . 0.52 110.516 -177.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -91.48 108.63 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.338 -0.986 . . . . 3.71 108.338 173.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.0 148.52 30.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.43 111.248 -172.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.666 ' HA ' ' HA ' ' A' ' 11' ' ' SER . 14.3 m -89.71 148.38 23.31 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.876 -0.602 . . . . 1.52 110.035 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.36 -31.55 77.72 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.656 -0.783 . . . . 0.49 111.788 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.21 2.4 27.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.507 . . . . 2.21 111.077 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 77' ' ' LEU . 52.6 tp -78.79 131.63 36.59 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.684 -0.487 . . . . 0.3 109.684 177.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 55.8 p-80 -78.15 147.31 34.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.143 -0.48 . . . . 0.44 110.748 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' A' ' 70' ' ' LEU . 17.5 mm -51.68 -42.44 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.26 112.436 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.44 -24.87 56.99 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 121.176 -0.535 . . . . 0.27 112.966 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 -37.02 20.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.928 -0.653 . . . . 0.37 111.601 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 77' ' ' LEU . 41.1 t -64.8 -43.41 96.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.81 -0.441 . . . . 0.31 109.81 177.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 67.2 mtp -54.08 -38.93 65.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.445 -0.798 . . . . 1.26 111.166 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 60.2 tp -72.55 -39.62 67.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.043 -0.526 . . . . 1.02 110.743 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 48' ' ' GLU . 63.9 mttm -62.99 -27.67 69.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.15 -0.477 . . . . 1.22 111.908 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD11 ' HB ' ' A' ' 16' ' ' VAL . 3.2 mm? -62.12 -46.9 86.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.828 0.347 . . . . 0.96 110.998 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.8 t -66.18 -49.72 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.077 -0.511 . . . . 0.65 111.299 -176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 45' ' ' LYS . 7.8 pt-20 -67.12 -26.05 66.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.069 -0.514 . . . . 2.36 112.212 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 29' ' ' ILE . 6.9 tp-100 -69.98 -32.61 70.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 1.34 110.912 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HE1' HG11 ' A' ' 18' ' ' VAL . 61.6 mtm -96.41 -49.75 5.04 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.969 -0.292 . . . . 1.03 110.992 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 54.78 70.49 0.62 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.715 0.634 . . . . 1.95 111.209 -175.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.8 mt -105.75 142.01 19.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.523 -0.762 . . . . 1.56 109.176 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.15 81.62 3.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.054 0.454 . . . . 2.71 110.997 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -148.19 171.7 15.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.755 -0.657 . . . . 3.75 109.316 174.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -102.41 109.13 20.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.178 0.513 . . . . 2.95 110.695 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -80.15 -59.89 2.54 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.113 -0.699 . . . . 2.18 109.113 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.5 t 64.6 -84.03 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 114.802 -1.09 . . . . 2.67 111.081 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -95.09 75.83 3.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.558 -0.534 . . . . 2.77 109.558 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 48.6 p90 -94.32 143.69 26.17 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.151 -0.477 . . . . 4.26 110.233 -179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -152.99 169.2 23.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.351 -0.386 . . . . 0.66 110.64 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 88' ' ' LEU . 15.4 tp -108.24 138.41 44.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.414 -0.357 . . . . 1.22 110.099 -175.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 34.9 t-105 -123.05 126.14 46.54 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.879 -0.6 . . . . 0.56 110.282 -176.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.47 ' HB2' HD21 ' A' ' 70' ' ' LEU . 4.3 t90 -95.66 110.05 22.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.662 -0.866 . . . . 0.35 108.662 176.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.14 -35.97 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 2.31 111.17 -173.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.41 -26.68 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.143 -0.48 . . . . 1.69 111.951 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 75.0 mmtt -115.09 -6.67 12.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.055 0.391 . . . . 1.1 112.055 -174.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.9 mtm180 60.6 42.41 14.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.227 0.329 . . . . 3.52 111.068 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 66' ' ' LYS . 24.3 p -130.5 148.89 52.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.935 0.398 . . . . 1.59 111.742 -174.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -95.87 123.87 39.64 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.051 -1.092 . . . . 0.57 108.051 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 3.7 mm? -73.02 103.35 3.77 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.762 -0.458 . . . . 0.61 109.762 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.4 mt -108.56 5.86 25.46 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.836 -0.801 . . . . 0.73 108.836 175.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 75' ' ' TRP . 37.4 mttm -83.21 57.76 4.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.736 -1.12 . . . . 1.95 108.821 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 p -62.62 -30.17 71.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.614 -0.721 . . . . 0.64 112.318 -172.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -85.74 -21.44 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 2.94 110.413 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.425 ' CE3' ' HG3' ' A' ' 79' ' ' LYS . 15.2 m0 -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.038 -0.528 . . . . 0.76 110.342 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 47.6 p -96.26 168.9 10.3 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.876 -0.602 . . . . 0.38 111.031 -177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.676 HD11 HG21 ' A' ' 42' ' ' VAL . 5.2 mp -60.24 -43.77 95.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.62 111.579 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.0 -43.07 83.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.991 0.424 . . . . 1.49 110.644 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HG3' ' CE3' ' A' ' 75' ' ' TRP . 59.1 tptt -60.54 -38.15 83.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.228 -0.896 . . . . 1.69 111.376 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.3 m -73.51 -37.94 65.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.879 0.371 . . . . 0.94 110.635 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 96.7 24.37 13.72 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.592 -0.813 . . . . 0.35 112.633 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -101.28 118.81 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.086 0.469 . . . . 0.33 110.394 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.03 -175.68 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.663 -0.699 . . . . 2.37 111.435 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 14' ' ' LEU . . . -79.88 -13.99 58.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.788 -0.642 . . . . 0.88 112.183 -173.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.77 -1.74 52.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.807 0.337 . . . . 2.14 110.76 -178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.76 131.16 36.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.986 -0.552 . . . . 0.48 110.586 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -71.82 97.2 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.323 0.582 . . . . 1.92 109.818 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 61' ' ' LEU . 14.4 tp -100.98 135.99 41.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.352 -0.84 . . . . 0.35 109.638 -177.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 17' ' ' ARG . 29.3 tp -118.28 132.61 56.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.5 -0.318 . . . . 0.39 110.332 -176.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 59' ' ' TYR . 44.2 t80 -111.77 111.36 22.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.779 -0.452 . . . . 0.4 109.779 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.861 ' HB ' ' HB3' ' A' ' 19' ' ' ASP . 9.2 t -141.51 143.07 28.35 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 116.004 -0.544 . . . . 0.6 110.004 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.578 ' HA ' ' HA ' ' A' ' 59' ' ' TYR . 22.4 Cg_exo -64.68 134.12 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.949 1.766 . . . . 1.04 110.955 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -78.15 64.67 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.58 0.705 . . . . 1.46 111.266 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -120.58 98.3 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.293 -0.867 . . . . 4.6 109.39 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -137.83 143.23 40.88 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.244 -0.434 . . . . 6.92 110.485 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.406 -0.806 . . . . 8.34 109.481 174.361 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.964 -0.454 . . . . 26.14 111.964 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' ILE . . . . . . . . . . . . . 56.8 mt -95.69 -48.39 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 24.82 110.561 -176.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.698 ' HB2' ' HD3' ' A' ' -2' ' ' PRO . 10.9 m-20 -81.75 -54.7 0.65 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 23.21 111.812 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.698 ' HD3' ' HB2' ' A' ' -3' ' ' ASP . 23.4 Cg_exo -65.46 128.22 19.79 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.125 1.883 . . . . 22.08 111.965 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -86.8 -6.93 58.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.142 0.496 . . . . 19.82 110.618 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' THR . . . . . . . . . . . . . 4.1 m -90.42 134.72 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.078 -0.51 . . . . 18.37 109.835 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt -70.74 129.24 38.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.775 0.321 . . . . 17.23 110.293 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' A' ' 2' ' ' LEU . 3.2 pp -88.41 6.59 36.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.253 -0.43 . . . . 14.96 111.33 -178.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -79.09 -22.52 45.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 14.83 111.21 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 m 71.98 -54.2 0.68 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.313 0.645 . . . . 12.3 111.476 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.64 152.89 20.83 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.541 -0.624 . . . . 10.54 111.541 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.52 -168.65 1.88 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.993 -0.373 . . . . 8.98 109.993 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 tp -80.48 61.87 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.431 0.634 . . . . 9.0 110.328 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 9' ' ' SER . 95.2 m -161.29 147.22 14.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.437 -0.801 . . . . 5.9 109.227 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' HG22 ' A' ' 8' ' ' THR . 5.7 p -75.43 168.44 20.0 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.956 0.407 . . . . 4.74 110.703 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.79 -177.23 2.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.737 -0.665 . . . . 1.97 110.487 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 8.7 m -88.49 106.61 18.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.326 0.584 . . . . 1.22 109.552 173.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 14' ' ' LEU . 13.9 p-90 -109.72 148.33 31.59 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.197 -0.91 . . . . 0.4 110.246 -176.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 9.4 pt-20 -92.58 124.44 36.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.508 0.67 . . . . 2.4 110.886 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 12' ' ' TRP . 53.3 tp -111.43 130.2 55.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.969 -1.014 . . . . 0.76 110.217 -177.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -89.8 118.32 34.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.685 -0.487 . . . . 0.96 109.685 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.39 121.48 67.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.719 -0.673 . . . . 0.31 109.817 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' HD12 ' A' ' 89' ' ' LEU . 64.9 mtt180 -88.15 118.03 27.45 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 3.03 109.891 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 t -89.16 124.71 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 116.263 -0.426 . . . . 0.46 110.317 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -96.5 113.93 25.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.224 0.535 . . . . 0.89 109.67 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -106.56 102.08 11.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.707 -0.679 . . . . 0.99 110.84 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 22' ' ' ASN . . . -66.56 144.73 56.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.529 -0.76 . . . . 1.79 109.859 176.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 35.4 m-80 70.93 15.93 6.63 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.496 0.665 . . . . 4.01 109.595 -174.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.74 172.06 25.78 Favored Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.598 -1.001 . . . . 2.95 110.598 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.29 151.2 37.46 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 117.191 0.495 . . . . 6.14 111.477 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 71.55 112.03 0.06 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.326 1.017 . . . . 3.74 111.98 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -70.65 114.74 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.997 -0.742 . . . . 1.75 108.997 171.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.2 m -77.54 130.94 37.59 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.382 -0.372 . . . . 0.66 110.468 -175.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -96.3 101.47 13.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.455 -0.572 . . . . 2.34 109.455 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.478 HG23 ' HG2' ' A' ' 49' ' ' GLN . 50.0 mm -98.67 121.63 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.466 -0.788 . . . . 0.44 110.54 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.3 m -95.22 112.02 23.78 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.165 -0.471 . . . . 0.51 109.891 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' HG ' HG22 ' A' ' 29' ' ' ILE . 96.4 mt -116.46 129.42 56.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.221 -0.445 . . . . 0.52 110.284 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.68 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 42.7 ttm180 -92.78 110.1 21.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.313 -0.625 . . . . 3.71 109.313 178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 11' ' ' SER . 34.6 m -117.57 151.11 19.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.457 -0.792 . . . . 0.43 111.147 -172.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -94.98 161.09 14.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.133 -0.485 . . . . 1.52 109.823 175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . -66.01 -19.12 67.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.872 -0.68 . . . . 0.49 112.691 -177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -91.6 5.74 48.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.553 0.216 . . . . 2.21 111.499 -177.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HD22 ' A' ' 77' ' ' LEU . 47.3 tp -89.83 130.0 36.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.725 -0.472 . . . . 0.3 109.725 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 76' ' ' THR . 50.6 p-80 -82.35 153.83 25.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.486 -0.324 . . . . 0.44 111.036 -178.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.785 ' HB ' ' HA ' ' A' ' 73' ' ' THR . 18.6 mm -49.83 -47.95 22.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 123.664 0.786 . . . . 0.26 112.189 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.86 -29.86 68.44 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 121.018 -0.611 . . . . 0.27 112.592 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.23 -37.37 48.63 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.12 -0.792 . . . . 0.37 111.12 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 77' ' ' LEU . 39.0 t -63.33 -46.07 96.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.348 -0.612 . . . . 0.31 109.348 174.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.537 ' HG2' ' HG ' ' A' ' 61' ' ' LEU . 71.2 mtp -58.14 -37.32 74.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.465 -0.788 . . . . 1.26 110.747 177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.35 -29.67 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 1.02 110.568 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.4 mttm -73.47 -22.08 60.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.384 -0.371 . . . . 1.22 111.796 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.3 mm? -63.09 -43.06 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 170.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.31 -37.17 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.65 109.932 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 32.4 tt0 -59.75 -34.35 72.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.054 -0.976 . . . . 2.36 111.351 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HG2' HG23 ' A' ' 29' ' ' ILE . 7.2 tp60 -72.14 -54.54 9.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.085 -0.507 . . . . 1.34 111.932 -174.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.465 ' HB3' HG13 ' A' ' 52' ' ' ILE . 4.5 mpp? -92.65 -32.37 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.929 0.344 . . . . 1.03 111.929 -175.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.4 m120 62.21 27.03 16.24 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 111.96 0.355 . . . . 1.95 111.96 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.465 HG13 ' HB3' ' A' ' 50' ' ' MET . 51.1 mt -67.11 130.13 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 110.255 -0.276 . . . . 1.56 110.255 179.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.7 95.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.023 0.44 . . . . 2.71 110.217 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' HG2' HG22 ' A' ' 52' ' ' ILE . 13.1 mm100 -139.73 179.19 6.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.756 -0.656 . . . . 3.75 110.246 -177.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.72 93.51 9.28 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.085 -0.709 . . . . 2.95 109.085 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.73 13.27 16.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.84 -0.618 . . . . 2.18 110.835 -175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.4 m -73.2 -31.52 64.23 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.088 -0.708 . . . . 2.67 109.088 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -96.44 97.56 9.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 2.77 109.876 175.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.633 ' HD2' ' HZ ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -165.59 157.95 15.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.732 -0.667 . . . . 4.26 110.5 -177.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -172.0 165.22 6.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.244 -0.435 . . . . 0.66 110.615 174.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 HG23 ' A' ' 39' ' ' ILE . 87.6 mt -98.89 130.67 45.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.876 0.369 . . . . 1.22 110.522 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 89' ' ' LEU . 56.0 t-105 -106.41 113.59 27.19 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.775 -0.648 . . . . 0.56 109.756 178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -86.22 109.32 18.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.657 -0.868 . . . . 0.35 108.657 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -68.39 -41.87 79.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.605 -0.271 . . . . 2.31 111.466 -173.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 86' ' ' ALA . 97.1 mt-30 -55.33 -39.85 70.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.184 -0.462 . . . . 1.69 111.528 -177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -98.5 -19.34 17.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.457 -0.338 . . . . 1.1 111.211 -176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 57.41 79.82 0.18 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.329 -0.619 . . . . 3.52 109.329 -169.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 t -164.41 148.36 9.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.487 -0.779 . . . . 1.59 110.158 -172.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.435 ' CZ3' HG23 ' A' ' 91' ' ' THR . 84.4 m95 -96.58 124.89 40.71 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.271 -0.64 . . . . 0.57 109.271 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 61' ' ' LEU . 3.8 mm? -69.01 104.61 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.122 0.487 . . . . 0.61 110.102 178.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 83.7 mt -108.45 -12.58 15.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 0.73 109.89 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -79.91 60.85 3.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.777 -0.647 . . . . 1.95 109.418 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.785 ' HA ' ' HB ' ' A' ' 39' ' ' ILE . 20.2 p -67.54 -24.2 65.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.215 -0.902 . . . . 0.64 111.81 -174.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -85.09 -9.48 57.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.205 -0.452 . . . . 2.94 110.231 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.449 ' CE3' ' HG2' ' A' ' 79' ' ' LYS . 11.9 m0 -88.42 156.27 19.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.76 110.124 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.78 ' HA ' ' HA ' ' A' ' 38' ' ' HIS . 65.7 p -89.74 169.98 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.576 -0.284 . . . . 0.38 110.891 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.566 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.43 -45.43 84.65 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.047 0.451 . . . . 0.62 110.07 176.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.8 -42.7 99.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.494 -0.776 . . . . 1.49 111.109 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' HG2' ' CE3' ' A' ' 75' ' ' TRP . 32.4 tttp -73.15 -22.51 60.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 1.69 110.775 -176.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.9 t -83.54 -45.85 13.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.314 -0.403 . . . . 0.94 110.425 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.13 -3.34 23.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.672 -0.775 . . . . 0.35 112.706 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.9 p -80.63 127.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.33 110.952 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -116.26 -175.95 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 2.37 110.875 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.08 -11.79 61.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.361 0.504 . . . . 0.88 112.361 -175.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -83.56 -18.2 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.019 0.438 . . . . 2.14 111.023 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . . . -74.2 133.74 42.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.999 0.428 . . . . 0.48 111.666 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -83.69 109.89 17.85 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.121 -0.696 . . . . 1.92 109.121 173.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 61' ' ' LEU . 14.0 tp -112.17 133.63 54.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.35 110.676 -173.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 62' ' ' TRP . 22.2 tp -109.42 142.89 39.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.714 -0.675 . . . . 0.39 109.497 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.633 ' HZ ' ' HD2' ' A' ' 59' ' ' TYR . 14.0 t80 -114.96 110.74 20.08 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.4 109.571 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.435 HG23 ' CZ3' ' A' ' 69' ' ' TRP . 1.8 t -141.26 150.95 60.14 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 116.096 -0.502 . . . . 0.6 110.814 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.67 155.44 70.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.427 2.085 . . . . 1.04 110.84 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -113.33 -23.86 9.66 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.986 -0.286 . . . . 1.46 111.266 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.1 m80 61.63 41.91 11.65 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.159 0.504 . . . . 4.6 111.215 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 35.6 ttpt -115.32 105.19 12.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.705 -0.68 . . . . 6.92 109.658 177.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.478 -0.772 . . . . 8.34 110.149 178.812 . . . . . . . . 0 0 . 1 stop_ save_