data_1d6k_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 1d6k _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m 54.27 103.29 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.138 2.575 . . . . 0.0 114.586 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 86.02 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -169.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.99 119.43 8.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.29 -162.2 1.05 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.439 1.496 . . . . 0.0 108.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -156.33 140.6 16.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.488 2.315 . . . . 0.0 105.27 168.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.48 142.17 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.483 -0.761 . . . . 0.0 111.414 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.415 HH21 ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -145.13 151.94 39.26 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -133.5 -3.31 3.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.285 1.834 . . . . 0.0 113.638 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.94 13.63 0.37 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.799 2.04 . . . . 0.0 114.797 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -32.73 9.52 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -172.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.38 -5.37 0.07 OUTLIER Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.097 2.284 . . . . 0.0 118.112 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 144.16 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 133.986 4.914 . . . . 0.0 110.941 166.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.96 74.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.257 0.932 . . . . 0.0 112.539 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -68.51 -47.76 66.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.203 1.001 . . . . 0.0 110.063 173.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -24.6 65.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.831 -0.543 . . . . 0.0 111.551 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -23.68 17.96 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 116.35 -1.786 . . . . 0.0 113.899 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.99 -41.32 17.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 121.416 1.916 . . . . 0.0 109.743 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.17 -56.16 21.52 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.721 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -27.61 67.23 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 118.894 0.77 . . . . 0.0 112.262 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.61 63.06 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.23 16.27 7.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.294 1.038 . . . . 0.0 113.14 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.34 14.68 8.07 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -83.52 176.5 9.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 162.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -164.4 129.88 2.08 Favored Pre-proline 0 N--CA 1.447 -0.614 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -159.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -70.57 156.9 60.3 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.675 1.584 . . . . 0.0 113.042 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.39 -178.79 6.15 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.182 1.393 . . . . 0.0 111.078 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.6 tp -139.75 161.26 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.208 1.403 . . . . 0.0 110.274 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.5 mt -131.74 92.56 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.806 2.042 . . . . 0.0 105.586 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--N 1.342 0.261 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.198 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 CA--C 1.535 0.538 0 N-CA-C 116.282 1.608 . . . . 0.0 116.282 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.9 107.6 2.98 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.348 1.059 . . . . 0.0 110.557 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.24 138.46 41.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.428 0.291 . . . . 0.0 110.544 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.27 132.91 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 126.335 1.854 . . . . 0.0 107.76 -175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.64 121.78 27.71 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 128.145 2.578 . . . . 0.0 108.568 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -137.44 170.39 16.16 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.741 0.782 . . . . 0.0 111.267 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.67 130.3 39.28 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.235 1.414 . . . . 0.0 109.724 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.9 -50.84 63.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.346 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.76 -28.61 67.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.516 0.598 . . . . 0.0 111.714 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 50' ' ' MET . 21.9 ttmm -59.43 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.147 162.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.34 -27.72 17.49 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 119.68 1.127 . . . . 0.0 113.884 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 tpt -47.01 -65.1 0.62 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 126.191 1.796 . . . . 0.0 110.178 165.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -55.02 -23.1 17.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.851 1.205 . . . . 0.0 114.127 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.1 mmm -84.99 -65.27 1.03 Allowed 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -170.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.4 pp0? -61.52 -7.8 3.58 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 120.194 1.361 . . . . 0.0 114.113 173.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -2.43 24.81 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 125.657 1.583 . . . . 0.0 112.503 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 157.9 31.98 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.944 1.247 . . . . 0.0 109.615 160.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -25.26 59.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -52.9 -25.64 12.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.73 2.012 . . . . 0.0 111.578 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 34.7 t80 -74.65 -39.91 61.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.262 -0.899 . . . . 0.0 113.358 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -91.34 -28.43 17.74 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.578 0.549 . . . . 0.0 112.057 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 t -83.05 -23.39 33.21 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.791 1.236 . . . . 0.0 110.77 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.74 162.29 27.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -74.06 150.75 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.691 0.796 . . . . 0.0 112.365 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 56' ' ' PHE . 12.3 mt -117.36 158.21 24.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.56 2.344 . . . . 0.0 108.256 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.4 m -113.51 98.99 7.41 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.696 0.68 . . . . 0.0 109.24 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mm -75.59 110.04 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 O-C-N 121.037 -1.039 . . . . 0.0 109.148 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.65 84.72 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -76.35 97.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 125.35 1.46 . . . . 0.0 107.648 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.03 29.95 15.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.206 0.602 . . . . 0.0 111.836 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.41 -2.76 46.53 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.473 -1.182 . . . . 0.0 114.607 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.8 127.22 48.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.395 1.597 . . . . 0.0 109.167 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.84 109.62 21.26 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.419 0.688 . . . . 0.0 110.831 -159.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -114.79 125.85 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -168.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -87.51 124.79 33.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.377 0.671 . . . . 0.0 110.509 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 32.7 m -152.34 159.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 C-N-CA 125.621 1.568 . . . . 0.0 111.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 134.99 48.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 123.645 0.778 . . . . 0.0 109.024 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -66.47 141.01 58.05 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.555 0.534 . . . . 0.0 111.835 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -135.6 -26.28 1.24 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.962 0.789 . . . . 0.0 111.89 -166.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.65 97.48 2.12 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 127.438 2.295 . . . . 0.0 105.234 171.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.6 m -91.26 139.95 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 160.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -115.97 117.92 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.204 1.802 . . . . 0.0 106.379 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -78.92 162.71 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.947 0.499 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 158.62 71.12 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 123.098 0.559 . . . . 0.0 110.001 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.75 -20.22 10.67 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.657 2.904 . . . . 0.0 113.199 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.16 -35.33 0.32 Allowed 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.774 0.716 . . . . 0.0 111.949 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.01 153.94 84.72 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.301 1.04 . . . . 0.0 109.834 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.33 58.26 6.91 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 124.17 3.247 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -133.91 -168.1 2.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.925 1.29 . . . . 0.0 109.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -124.86 151.99 44.56 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.725 1.61 . . . . 0.0 109.315 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.93 -34.94 10.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.412 1.485 . . . . 0.0 110.853 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -179.65 158.19 0.79 Allowed 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.329 1.452 . . . . 0.0 109.553 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 95.4 mt -141.9 146.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -121.21 165.51 15.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.992 165.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.72 157.73 45.94 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.5 m -118.15 145.85 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 118.016 0.371 . . . . 0.0 110.562 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -53.94 92.4 0.01 OUTLIER 'General case' 0 C--N 1.341 0.238 0 C-N-CA 127.208 2.203 . . . . 0.0 111.77 -169.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.582 170.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 m 55.22 100.01 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.122 2.569 . . . . 0.0 115.072 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.63 85.27 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -166.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.58 92.1 0.09 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.136 0.974 . . . . 0.0 111.073 -168.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.56 -161.22 0.84 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.25 147.36 27.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 165.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.86 141.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 121.67 -0.644 . . . . 0.0 110.485 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -134.01 157.42 46.14 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.621 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -136.89 -0.58 2.29 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.939 1.696 . . . . 0.0 113.172 167.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -66.96 10.42 0.14 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.34 2.256 . . . . 0.0 115.739 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -30.05 22.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.56 -12.97 0.42 Allowed Glycine 0 CA--C 1.544 1.894 0 C-N-CA 126.457 1.979 . . . . 0.0 116.679 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp 157.01 -28.97 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 1 C-N-CA 132.341 4.256 . . . . 0.0 111.477 158.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.94 -31.93 58.93 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.257 0.932 . . . . 0.0 112.764 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.05 9.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.459 1.104 . . . . 0.0 110.061 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 m -62.31 -19.83 63.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.711 -0.618 . . . . 0.0 112.512 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.61 -34.44 13.31 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 116.925 -1.512 . . . . 0.0 113.021 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.63 -40.82 63.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.333 1.879 . . . . 0.0 110.224 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -53.97 40.75 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.031 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -60.12 -27.65 67.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.016 0.825 . . . . 0.0 111.906 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.81 -11.53 60.41 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.27 17.96 7.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.24 1.416 . . . . 0.0 112.75 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 65.52 10.33 6.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.587 0.755 . . . . 0.0 112.913 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -86.64 176.68 7.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.301 1.44 . . . . 0.0 108.502 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.2 p90 -159.82 152.97 18.34 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.55 158.28 47.81 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.698 1.599 . . . . 0.0 113.358 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.33 179.28 6.55 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.364 1.066 . . . . 0.0 111.022 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.1 tp -136.69 158.0 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.606 1.162 . . . . 0.0 110.025 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -128.86 104.95 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 CA--C 1.53 0.196 0 C-N-CA 123.793 0.837 . . . . 0.0 111.464 -178.324 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 CA--C 1.533 0.428 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -151.0 97.56 2.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.45 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 135.61 48.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.25 132.5 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.7 124.8 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.936 1.694 . . . . 0.0 108.788 169.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.53 165.19 28.13 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 121.298 0.571 . . . . 0.0 111.071 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.89 138.71 39.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.25 -50.49 22.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.385 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -26.12 66.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.01 0.823 . . . . 0.0 111.346 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.26 -80.06 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.752 1.621 . . . . 0.0 108.563 166.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 1.9 p -51.37 -27.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -60.93 2.59 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 108.686 171.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.11 -25.27 58.51 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -80.14 -67.29 0.78 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 118.947 0.794 . . . . 0.0 108.868 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.88 -17.44 3.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.109 2.163 . . . . 0.0 112.791 174.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.26 -5.42 22.84 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 125.499 1.52 . . . . 0.0 112.685 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.79 157.46 37.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.404 1.456 . . . . 0.0 110.368 165.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.82 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.438 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -22.89 41.11 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.192 1.397 . . . . 0.0 111.844 171.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 58.1 t80 -76.02 -45.14 36.04 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.343 -0.848 . . . . 0.0 112.894 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -86.74 -29.55 22.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.66 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -86.64 -18.55 31.07 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.846 0.859 . . . . 0.0 111.371 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 145.33 51.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.44 152.12 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.766 0.826 . . . . 0.0 112.413 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 35.7 mt -116.76 155.17 29.38 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.977 1.711 . . . . 0.0 107.638 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 m -110.01 89.04 2.9 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.49 112.86 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 170.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.9 t -93.43 85.55 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.64 96.87 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.445 1.498 . . . . 0.0 108.765 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.64 25.52 8.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.455 1.102 . . . . 0.0 112.605 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.49 -4.55 29.59 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.944 1.259 . . . . 0.0 114.491 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -100.63 126.32 47.11 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 119.318 1.559 . . . . 0.0 108.405 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -102.8 108.49 19.74 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.725 0.41 . . . . 0.0 110.526 -159.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.18 125.46 71.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -168.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -87.56 119.27 27.68 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.783 0.833 . . . . 0.0 110.516 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.5 m -148.86 159.52 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -129.03 133.21 47.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.97 1.308 . . . . 0.0 109.54 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.7 142.9 57.25 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.617 0.573 . . . . 0.0 112.409 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -129.56 -38.44 1.53 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.958 0.903 . . . . 0.0 111.759 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.51 90.44 1.94 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.943 2.097 . . . . 0.0 105.908 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.7 m -81.06 139.77 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 158.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -116.6 112.44 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -74.78 163.37 27.75 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.928 0.491 . . . . 0.0 109.863 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 159.32 70.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.096 0.558 . . . . 0.0 110.55 168.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.53 -9.27 13.59 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.538 2.825 . . . . 0.0 113.662 -171.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -148.02 -56.21 0.22 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.546 1.066 . . . . 0.0 112.259 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -78.87 154.41 77.99 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.854 1.662 . . . . 0.0 110.201 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.76 76.84 3.91 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.738 2.959 . . . . 0.0 110.982 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -137.4 -168.55 2.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.573 1.549 . . . . 0.0 109.433 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -127.65 153.54 46.34 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.975 2.11 . . . . 0.0 108.399 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.724 1.61 . . . . 0.0 110.448 175.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -175.79 157.7 2.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 125.575 1.55 . . . . 0.0 108.702 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.71 150.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.29 166.14 17.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.396 166.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -139.06 155.84 47.63 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.98 1.312 . . . . 0.0 107.939 170.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.1 149.76 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -57.81 93.54 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.691 1.596 . . . . 0.0 111.967 -175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.103 -1.903 . . . . 0.0 112.307 167.511 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 m 56.7 104.22 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.016 2.526 . . . . 0.0 114.141 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.45 85.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-O 121.952 0.882 . . . . 0.0 109.482 -168.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.527 HD21 ' HB ' ' A' ' 64' ' ' VAL . 2.9 m120 -59.52 117.9 5.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.28 1.032 . . . . 0.0 109.673 -172.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.38 -161.5 1.04 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.728 1.211 . . . . 0.0 108.473 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.93 140.84 21.07 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 165.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.92 153.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.797 1.239 . . . . 0.0 111.372 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.437 HH21 ' CB ' ' A' ' 16' ' ' ALA . 60.4 mtp180 -130.18 151.99 50.11 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.881 1.272 . . . . 0.0 112.35 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.56 12.96 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.492 2.717 . . . . 0.0 110.379 -175.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -111.27 13.0 21.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.565 1.946 . . . . 0.0 111.233 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -25.96 67.48 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 115.654 -162.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 -0.91 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 128.067 2.746 . . . . 0.0 118.509 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 141.64 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 1 C-N-CA 135.705 5.602 . . . . 0.0 109.974 163.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.22 -37.56 38.61 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.199 1.38 . . . . 0.0 113.026 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -61.63 -55.28 32.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.913 0.885 . . . . 0.0 110.893 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.47 -28.15 58.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.562 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 -32.18 12.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 116.231 -1.842 . . . . 0.0 113.641 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -65.93 -42.11 90.52 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 121.987 2.176 . . . . 0.0 109.619 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -60.41 3.79 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.709 1.204 . . . . 0.0 110.75 -177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -66.49 -19.82 65.88 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 119.066 0.848 . . . . 0.0 112.468 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -16.94 62.6 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.8 -53.8 3.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.205 1.002 . . . . 0.0 110.192 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 p30 136.9 -9.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 1 C-N-CA 132.293 4.237 . . . . 0.0 112.625 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -74.68 173.2 10.81 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.068 1.347 . . . . 0.0 107.59 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.0 153.28 25.39 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.55 155.44 50.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.024 1.816 . . . . 0.0 112.741 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.3 7.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.842 1.257 . . . . 0.0 110.655 163.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 tp -134.57 155.59 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.44 1.496 . . . . 0.0 110.713 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.8 mt -125.27 81.29 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 C-N-CA 125.816 1.647 . . . . 0.0 106.604 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.451 -0.991 0 N-CA-C 116.879 1.838 . . . . 0.0 116.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 tt -155.22 108.86 2.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.961 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.77 53.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.954 -0.546 . . . . 0.0 109.746 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.45 146.22 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.983 1.313 . . . . 0.0 108.03 174.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -103.21 106.33 16.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.308 3.043 . . . . 0.0 107.157 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.45 167.75 15.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.102 0.953 . . . . 0.0 112.195 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -69.58 123.85 22.41 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.013 1.725 . . . . 0.0 108.125 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -52.15 42.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.132 0.573 . . . . 0.0 110.801 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.281 0.491 . . . . 0.0 111.333 -172.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.02 -75.08 0.06 Allowed 'General case' 0 C--N 1.344 0.353 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.023 163.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.13 -27.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 119.886 1.221 . . . . 0.0 113.97 -170.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 tpp -50.19 -62.34 1.64 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.135 0.974 . . . . 0.0 108.779 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.8 -20.73 37.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.42 -67.41 0.79 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.31 -18.35 2.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.543 2.337 . . . . 0.0 112.738 174.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.57 22.95 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.422 1.489 . . . . 0.0 112.599 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.24 160.82 23.07 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.275 1.398 . . . . 0.0 110.532 166.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.03 -24.72 59.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.62 -23.87 18.95 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.736 1.614 . . . . 0.0 111.398 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 73.0 t80 -73.16 -49.06 30.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 121.126 -0.984 . . . . 0.0 112.536 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -83.43 -29.38 28.14 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.242 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -84.74 -18.58 34.71 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.404 1.082 . . . . 0.0 111.898 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.75 143.64 47.26 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 147.29 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.711 0.805 . . . . 0.0 112.191 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 56' ' ' PHE . 12.6 mt -114.95 161.35 18.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.711 1.604 . . . . 0.0 108.649 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -117.31 97.17 5.76 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 109.664 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mm -76.21 111.05 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' HB ' HD21 ' A' ' 5' ' ' ASN . 36.0 t -93.62 82.88 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 14.2 m -74.53 99.54 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.114 1.766 . . . . 0.0 106.416 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t70 56.85 30.45 17.89 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.811 0.338 . . . . 0.0 111.669 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.53 58.49 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.657 -1.079 . . . . 0.0 114.46 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -100.07 122.88 43.62 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.154 1.477 . . . . 0.0 108.385 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -98.51 108.83 21.62 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.098 0.959 . . . . 0.0 110.519 -162.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.89 131.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -85.96 128.01 34.75 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 123.449 0.699 . . . . 0.0 110.474 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 m -151.86 163.16 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -135.25 136.09 41.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.548 1.139 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.99 147.76 51.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -131.19 -38.67 1.21 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.732 1.213 . . . . 0.0 112.33 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -141.75 80.81 1.74 Allowed 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.8 m -77.14 140.77 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 158.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -121.87 114.95 21.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -76.01 162.19 28.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.031 0.532 . . . . 0.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 159.71 72.48 Favored Pre-proline 0 CA--C 1.536 0.441 0 C-N-CA 123.531 0.732 . . . . 0.0 110.778 169.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.82 -8.88 13.32 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.191 2.594 . . . . 0.0 113.77 -173.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -147.27 -55.2 0.23 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.88 1.218 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -83.24 157.15 65.92 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.012 1.725 . . . . 0.0 110.269 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.68 74.84 5.28 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.723 2.949 . . . . 0.0 111.167 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -136.86 -167.66 2.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.659 1.584 . . . . 0.0 109.315 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mt -133.41 137.85 45.97 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.934 1.694 . . . . 0.0 108.358 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -86.65 -36.69 18.62 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.675 1.19 . . . . 0.0 110.511 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -176.24 154.67 1.4 Allowed 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 124.905 1.282 . . . . 0.0 109.644 -168.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.6 mt -139.53 157.36 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -141.07 128.28 20.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.467 1.507 . . . . 0.0 107.521 -169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -125.33 143.53 50.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -93.57 147.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.555 0.616 . . . . 0.0 109.489 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -58.09 89.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.155 2.182 . . . . 0.0 110.329 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.681 1.192 . . . . 0.0 111.734 177.119 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m 58.61 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 128.117 2.567 . . . . 0.0 113.981 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.05 82.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -168.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.441 HD21 ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.25 107.39 0.64 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -175.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.86 -161.62 0.76 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.478 1.911 . . . . 0.0 107.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -152.15 142.95 22.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 167.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.48 144.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.642 -0.661 . . . . 0.0 110.835 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -138.15 157.48 46.23 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.077 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -136.57 -2.23 2.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.846 1.658 . . . . 0.0 113.361 168.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.35 13.15 0.18 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.8 2.44 . . . . 0.0 115.348 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -31.63 16.55 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -170.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.34 -1.43 0.03 OUTLIER Glycine 0 CA--C 1.546 1.99 0 C-N-CA 127.738 2.59 . . . . 0.0 117.919 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp 135.4 -25.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 1 C-N-CA 135.574 5.55 . . . . 0.0 110.264 169.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.49 -51.75 21.14 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.566 1.079 . . . . 0.0 111.798 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.09 69.3 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.202 1.401 . . . . 0.0 111.691 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 m -58.42 -29.37 66.06 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.801 -0.562 . . . . 0.0 111.51 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -40.15 15.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 115.941 -1.98 . . . . 0.0 111.793 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.73 78.49 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 122.041 2.201 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -60.7 2.44 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.455 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.12 -20.55 64.18 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-O 118.417 -0.802 . . . . 0.0 112.478 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.34 -15.84 59.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.82 -59.07 2.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.286 1.034 . . . . 0.0 108.868 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 136.22 0.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 131.47 3.908 . . . . 0.0 111.813 -162.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -81.33 175.02 10.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 153.69 12.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.45 162.09 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.51 1.473 . . . . 0.0 114.064 -167.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.46 179.96 6.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.602 1.161 . . . . 0.0 111.35 162.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tp -135.52 157.48 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 125.63 1.572 . . . . 0.0 110.2 171.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.1 mt -127.85 94.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -167.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 CA-C-O 120.462 0.109 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tp -148.03 102.72 3.41 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.377 0.608 . . . . 0.0 110.509 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.61 134.35 45.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.07 141.3 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -90.94 113.78 26.09 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 127.586 2.354 . . . . 0.0 107.905 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.22 165.89 22.35 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 111.928 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -77.79 135.78 38.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -70.05 -52.37 24.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.382 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.05 -32.57 71.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.638 0.654 . . . . 0.0 111.964 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -58.72 -77.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.494 1.518 . . . . 0.0 108.67 166.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -60.54 -24.27 31.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 tpp -50.56 -64.32 0.84 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.134 1.374 . . . . 0.0 108.876 167.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -56.32 -18.99 12.38 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.326 0.966 . . . . 0.0 113.429 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -84.72 -65.69 0.98 Allowed 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.538 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -60.8 -9.01 3.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.024 1.284 . . . . 0.0 113.962 174.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.72 19.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.308 1.443 . . . . 0.0 111.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.94 158.28 32.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.881 1.218 . . . . 0.0 109.702 161.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.6 58.44 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.52 -19.18 23.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.377 1.871 . . . . 0.0 111.873 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 53.6 t80 -75.38 -46.54 32.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.398 -0.814 . . . . 0.0 112.764 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -85.87 -28.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.0 t -78.31 -37.69 44.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.019 1.328 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.71 148.09 49.9 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -66.9 151.89 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 123.716 0.806 . . . . 0.0 112.652 -167.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.6 mt -115.58 160.83 19.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.161 2.184 . . . . 0.0 108.248 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.5 m -118.14 96.0 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 118.77 0.714 . . . . 0.0 109.454 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -80.87 109.08 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 120.399 -1.438 . . . . 0.0 111.99 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' HB ' HD21 ' A' ' 5' ' ' ASN . 47.2 t -94.63 81.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.973 1.709 . . . . 0.0 108.228 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.5 94.93 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 126.21 1.804 . . . . 0.0 108.868 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.32 24.61 10.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.141 0.976 . . . . 0.0 112.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -2.86 34.48 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.823 1.201 . . . . 0.0 114.345 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -92.8 119.28 31.99 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.25 102.48 13.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.005 0.82 . . . . 0.0 110.679 -163.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.91 127.06 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -167.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.54 122.98 29.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.951 0.5 . . . . 0.0 110.506 175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.1 m -154.16 162.39 2.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 125.011 1.324 . . . . 0.0 112.194 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.4 137.35 24.26 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 138.83 56.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.177 0.923 . . . . 0.0 112.358 -169.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -16.18 7.97 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.356 1.035 . . . . 0.0 111.646 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -159.52 125.39 4.29 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.433 1.893 . . . . 0.0 106.64 164.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.72 143.45 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 160.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -120.82 98.85 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -163.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -77.48 161.85 27.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.847 0.859 . . . . 0.0 111.617 -170.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 159.52 33.32 Favored Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 122.655 0.382 . . . . 0.0 110.588 159.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.48 -24.24 2.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.537 2.825 . . . . 0.0 113.482 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -147.56 11.19 0.98 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.072 0.949 . . . . 0.0 112.052 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -131.84 155.42 81.4 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 125.29 1.436 . . . . 0.0 108.488 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.55 49.13 2.97 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.439 3.426 . . . . 0.0 111.119 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -118.32 -176.9 3.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.021 1.728 . . . . 0.0 109.517 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -121.84 164.99 16.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.068 1.747 . . . . 0.0 108.964 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.58 -27.56 3.11 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.796 2.439 . . . . 0.0 109.834 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 178.86 163.78 0.81 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 126.754 2.022 . . . . 0.0 109.265 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 73.2 mt -148.9 149.66 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 125.666 1.586 . . . . 0.0 106.993 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -120.83 155.03 34.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 164.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.31 149.62 52.48 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.35 148.94 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 118.409 0.549 . . . . 0.0 109.824 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -58.16 93.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.861 2.065 . . . . 0.0 110.52 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.794 -1.574 . . . . 0.0 111.727 170.543 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.405 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.8 m 62.73 95.86 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.782 2.833 . . . . 0.0 112.542 172.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.48 84.1 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -166.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.24 117.59 5.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.24 -161.37 1.02 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.21 1.404 . . . . 0.0 108.059 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -158.08 139.82 13.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.438 1.895 . . . . 0.0 105.951 168.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.86 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 O-C-N 121.65 -0.656 . . . . 0.0 111.551 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.31 143.32 35.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.082 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 mmpt? -124.48 5.1 8.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.356 1.462 . . . . 0.0 112.951 173.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.43 11.49 2.97 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.235 2.214 . . . . 0.0 113.713 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -46.37 -37.25 7.3 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.258 1.823 . . . . 0.0 115.426 -168.135 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.21 0.55 0.01 OUTLIER Glycine 0 CA--C 1.538 1.482 0 C-N-CA 130.359 3.838 . . . . 0.0 119.367 -170.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 12' ' ' GLN . 2.2 mmtm 140.54 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 1 C-N-CA 136.769 6.028 . . . . 0.0 108.193 170.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.86 83.61 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.671 1.605 . . . . 0.0 113.607 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.46 27.35 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 118.548 1.174 . . . . 0.0 110.203 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -61.21 -20.17 62.48 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.068 -1.02 . . . . 0.0 112.559 -170.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -29.48 14.61 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.212 1.805 . . . . 0.0 113.411 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -77.09 -38.53 52.17 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.931 1.696 . . . . 0.0 109.89 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.71 -57.81 11.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.69 1.196 . . . . 0.0 110.125 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -63.09 -20.45 65.36 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.072 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.52 -15.28 59.92 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.49 -85.51 0.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 165.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.08 3.63 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 129.354 3.062 . . . . 0.0 110.85 173.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.11 176.42 8.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.8 2.04 . . . . 0.0 106.478 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -161.15 152.96 16.37 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -73.6 152.58 48.44 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.69 1.593 . . . . 0.0 112.364 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.33 179.96 6.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.009 1.324 . . . . 0.0 110.792 162.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -136.79 156.19 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 C-N-CA 124.144 0.977 . . . . 0.0 109.974 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.15 93.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.251 5.5 p90 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 CA-C-O 120.746 0.227 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -151.77 98.06 2.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.347 0.594 . . . . 0.0 110.014 -166.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.93 132.94 49.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.26 142.85 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.46 113.92 26.18 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 128.026 2.53 . . . . 0.0 107.829 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.54 164.88 26.17 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.85 0.834 . . . . 0.0 111.194 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.0 132.88 40.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.263 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -66.89 -50.25 63.04 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.393 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.48 -34.78 76.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.384 0.538 . . . . 0.0 111.444 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -62.73 -73.79 0.1 Allowed 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.93 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 tpp -51.13 -63.38 1.15 Allowed 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.488 1.115 . . . . 0.0 108.542 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -56.87 -19.0 15.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.31 -67.78 0.76 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -60.41 -7.75 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 176.133 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -1.55 20.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.434 1.494 . . . . 0.0 111.877 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 158.99 31.95 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.012 1.278 . . . . 0.0 110.066 162.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -23.15 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.25 -20.6 28.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.191 1.796 . . . . 0.0 111.598 172.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 53.0 t80 -70.8 -52.11 22.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.191 -0.943 . . . . 0.0 112.073 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -81.46 -28.65 34.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.939 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -78.97 -34.74 43.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.924 1.29 . . . . 0.0 110.991 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 127.9 45.26 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -169.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.97 145.06 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.018 1.727 . . . . 0.0 113.3 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 56' ' ' PHE . 8.3 mt -113.29 157.67 21.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.911 1.284 . . . . 0.0 108.194 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' HB ' HG23 ' A' ' 3' ' ' THR . 8.7 m -113.41 100.51 8.59 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.18 0.514 . . . . 0.0 109.623 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.2 104.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 124.912 1.285 . . . . 0.0 108.207 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.53 81.99 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.2 m -74.6 99.6 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.3 t70 56.06 30.93 17.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.012 0.434 . . . . 0.0 111.625 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.48 -3.0 57.66 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 118.581 -1.122 . . . . 0.0 114.578 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -101.1 125.05 47.69 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 119.305 1.552 . . . . 0.0 108.676 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -101.36 107.18 18.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.617 0.767 . . . . 0.0 111.283 -159.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.81 126.74 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -168.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -85.67 124.51 32.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.548 0.739 . . . . 0.0 110.926 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 m -150.77 160.82 3.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 124.656 1.182 . . . . 0.0 113.416 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -132.9 134.97 45.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.624 1.17 . . . . 0.0 109.529 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 139.51 58.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.704 0.628 . . . . 0.0 112.158 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -28.73 4.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.276 1.03 . . . . 0.0 111.402 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.72 116.35 2.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.892 2.077 . . . . 0.0 106.072 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.52 141.73 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 159.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -122.03 100.81 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.796 2.038 . . . . 0.0 105.734 -171.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -76.7 166.01 23.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.188 1.795 . . . . 0.0 111.14 -168.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.41 159.62 11.48 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 122.68 0.392 . . . . 0.0 110.844 159.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -84.36 -21.24 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.931 2.421 . . . . 0.0 113.18 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -149.34 9.83 0.75 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.924 0.89 . . . . 0.0 112.866 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -135.77 157.02 76.97 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 124.848 1.259 . . . . 0.0 109.004 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.67 55.44 5.51 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.184 3.256 . . . . 0.0 111.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.58 -174.04 2.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.097 1.759 . . . . 0.0 110.187 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -124.98 162.05 25.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.106 1.762 . . . . 0.0 108.77 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.9 -25.27 3.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.269 2.228 . . . . 0.0 110.409 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -176.09 159.03 2.06 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.603 1.561 . . . . 0.0 109.178 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.2 mt -146.74 152.5 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -124.06 159.35 30.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 165.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.6 156.8 48.06 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 106.608 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.77 147.45 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 118.575 0.625 . . . . 0.0 109.612 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -53.3 90.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.613 2.365 . . . . 0.0 111.034 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.574 172.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m 63.59 100.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.837 2.855 . . . . 0.0 112.731 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 84.57 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -164.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.47 96.41 0.16 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.754 1.222 . . . . 0.0 110.195 -168.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.1 -158.54 0.68 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.163 0.985 . . . . 0.0 108.436 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -161.95 133.28 5.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.578 1.951 . . . . 0.0 106.288 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.7 140.22 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 C-N-CA 123.502 0.721 . . . . 0.0 111.308 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.59 148.73 36.32 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.276 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -133.69 -2.97 2.96 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.369 1.467 . . . . 0.0 113.245 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.99 13.87 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 129.026 2.93 . . . . 0.0 115.138 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -45.04 30.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -166.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -14.03 -63.1 0.01 OUTLIER Glycine 0 N--CA 1.473 1.111 0 C-N-CA 129.696 3.522 . . . . 0.0 114.036 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -171.1 -11.53 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 128.289 2.635 . . . . 0.0 109.212 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.5 -38.98 52.3 Favored Glycine 0 C--N 1.344 0.988 0 C-N-CA 126.574 2.035 . . . . 0.0 114.062 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.06 13.9 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 123.551 0.74 . . . . 0.0 110.954 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 -27.86 66.81 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -74.79 -57.22 4.05 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 115.955 -1.974 . . . . 0.0 109.069 170.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -63.55 -42.75 98.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.774 2.079 . . . . 0.0 110.149 -164.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.05 -61.71 2.26 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.751 1.22 . . . . 0.0 110.01 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.4 -23.28 62.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.954 0.902 . . . . 0.0 112.402 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.46 -13.02 55.65 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.632 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.77 -85.12 0.45 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 164.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.75 5.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.263 1.825 . . . . 0.0 112.288 -174.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.54 174.85 6.64 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.381 1.872 . . . . 0.0 106.526 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.04 152.56 8.63 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -70.66 163.05 40.37 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.478 1.452 . . . . 0.0 113.048 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.51 179.41 6.57 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.281 1.432 . . . . 0.0 109.706 159.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -135.24 156.57 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.601 1.16 . . . . 0.0 110.214 169.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.82 93.16 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 170.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 110.413 173.68 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 115.429 1.28 . . . . 0.0 115.429 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tp -158.83 100.83 1.61 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 122.677 0.391 . . . . 0.0 110.152 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.07 137.83 40.43 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.12 131.93 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.592 1.557 . . . . 0.0 108.031 -174.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.98 126.92 31.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 127.868 2.467 . . . . 0.0 108.668 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.45 168.32 20.01 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 121.701 0.763 . . . . 0.0 112.363 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.01 137.35 38.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.984 1.314 . . . . 0.0 109.239 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.14 -54.35 10.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.939 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.24 -30.46 69.42 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.907 0.776 . . . . 0.0 112.115 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.84 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.944 2.098 . . . . 0.0 109.681 167.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.12 -27.4 9.65 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 tpp -50.66 -65.06 0.62 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.62 1.168 . . . . 0.0 109.222 167.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 -18.27 7.16 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mmt -84.51 -66.69 0.87 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 118.358 -0.83 . . . . 0.0 108.776 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.02 -8.38 3.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.007 1.276 . . . . 0.0 113.916 175.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -1.19 17.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.387 1.475 . . . . 0.0 111.847 174.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 158.28 34.63 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.95 1.25 . . . . 0.0 109.888 160.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.22 60.29 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -56.15 -21.03 20.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.957 1.703 . . . . 0.0 111.776 171.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.0 t80 -72.12 -49.6 34.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.172 -0.955 . . . . 0.0 112.471 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -85.65 -25.5 26.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.456 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -83.39 -30.34 27.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.106 1.362 . . . . 0.0 110.979 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 127.78 44.09 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -173.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.49 145.04 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.969 1.708 . . . . 0.0 112.903 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 39.1 mt -110.88 157.62 19.64 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.91 1.684 . . . . 0.0 108.038 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -111.78 98.46 7.41 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mm -73.65 111.07 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 O-C-N 120.99 -1.069 . . . . 0.0 108.722 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.72 83.59 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -72.23 95.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 125.779 1.632 . . . . 0.0 108.532 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.28 25.97 8.02 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.424 1.09 . . . . 0.0 112.468 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 -4.77 27.97 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.907 1.242 . . . . 0.0 114.695 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -101.06 126.04 47.72 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.432 1.616 . . . . 0.0 108.325 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -103.1 108.59 19.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.983 0.513 . . . . 0.0 110.725 -159.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.0 128.76 69.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -83.25 124.61 30.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.468 0.707 . . . . 0.0 111.166 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 m -151.47 162.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 C-N-CA 124.881 1.273 . . . . 0.0 112.85 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -135.65 128.58 31.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.47 31.41 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 124.504 1.128 . . . . 0.0 110.683 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 -16.22 10.56 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.256 0.973 . . . . 0.0 111.499 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -161.84 126.06 3.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 160.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.82 144.1 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 162.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.5 104.01 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -75.29 166.47 23.56 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.104 0.962 . . . . 0.0 110.362 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 162.26 51.13 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.651 0.78 . . . . 0.0 110.687 164.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.94 -24.8 2.57 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.486 2.791 . . . . 0.0 112.917 -171.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -147.71 10.22 0.93 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.702 1.201 . . . . 0.0 112.167 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -124.18 159.13 58.34 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 125.472 1.509 . . . . 0.0 108.425 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.76 9.05 2.07 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.715 2.943 . . . . 0.0 112.843 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -78.0 -177.77 5.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.49 1.116 . . . . 0.0 109.834 -175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.9 mt -117.45 162.65 17.62 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.409 1.484 . . . . 0.0 108.309 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -123.18 -28.44 4.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.875 2.07 . . . . 0.0 111.014 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -178.37 162.11 1.46 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.528 1.531 . . . . 0.0 109.295 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.3 mt -147.24 146.06 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.33 155.56 29.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.78 0.832 . . . . 0.0 108.818 167.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -131.34 154.35 48.67 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.804 1.642 . . . . 0.0 107.325 165.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.2 158.8 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 118.066 -0.968 . . . . 0.0 108.628 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -62.25 100.98 0.19 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.133 0.878 . . . . 0.0 109.9 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.449 166.397 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 119.536 -0.268 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 59.14 104.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.28 2.632 . . . . 0.0 114.619 170.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.58 84.78 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -169.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.461 HD21 ' HB ' ' A' ' 64' ' ' VAL . 2.8 m120 -63.41 100.79 0.27 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.011 0.925 . . . . 0.0 110.546 -170.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.17 -160.12 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.03 139.0 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -63.29 134.98 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.71 -0.619 . . . . 0.0 110.841 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 148.34 51.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 174.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -128.44 -1.47 5.59 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.912 2.085 . . . . 0.0 112.49 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.96 14.29 0.3 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.158 2.583 . . . . 0.0 114.416 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -31.66 32.46 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.19 -14.58 1.34 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.459 1.981 . . . . 0.0 116.391 -172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 166.28 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 130.755 3.622 . . . . 0.0 109.747 158.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.93 98.02 Favored Glycine 0 C--N 1.344 0.992 0 C-N-CA 124.496 1.046 . . . . 0.0 112.683 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.78 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.493 0.717 . . . . 0.0 111.447 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -55.92 -33.9 65.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.597 0.237 . . . . 0.0 111.462 -172.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -34.58 14.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 116.632 -1.652 . . . . 0.0 112.379 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -71.54 -41.07 69.6 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.047 1.749 . . . . 0.0 110.907 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.75 -59.64 5.06 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.354 1.062 . . . . 0.0 109.573 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -57.76 -25.79 60.97 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.126 0.891 . . . . 0.0 111.433 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 -11.72 60.02 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.97 19.06 7.13 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.22 1.808 . . . . 0.0 112.577 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 66.47 7.71 5.23 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -84.19 177.59 8.15 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 159.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.78 154.77 9.09 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -70.33 159.94 51.26 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 121.483 1.455 . . . . 0.0 113.479 -172.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 174.51 11.1 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.329 1.452 . . . . 0.0 109.596 160.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -130.76 156.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 125.348 1.459 . . . . 0.0 109.771 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -126.86 94.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.284 6.8 p90 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.459 -0.554 0 CA-C-O 120.576 0.156 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -157.29 98.8 1.74 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 109.521 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.94 132.96 46.0 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.87 129.14 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.128 1.371 . . . . 0.0 108.621 -174.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -81.93 116.2 21.46 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 130.513 3.525 . . . . 0.0 109.58 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.02 167.01 21.4 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.076 0.55 . . . . 0.0 111.833 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.09 134.26 42.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -54.11 10.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.918 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -23.61 65.67 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.871 0.759 . . . . 0.0 111.886 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -58.9 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.895 1.678 . . . . 0.0 109.274 161.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -50.28 -26.64 3.55 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.8 -63.52 1.09 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 124.809 1.243 . . . . 0.0 109.595 168.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -55.65 -24.4 33.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.3 mmt -82.36 -65.57 0.99 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.4 -17.72 3.38 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.871 2.069 . . . . 0.0 113.162 172.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.27 -3.03 21.25 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 112.862 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 157.58 35.35 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.472 1.487 . . . . 0.0 109.97 163.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.58 61.03 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.14 -23.1 32.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 41.7 t80 -76.09 -43.84 41.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.168 -0.957 . . . . 0.0 112.915 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -86.39 -29.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.117 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.7 t -79.25 -28.21 42.4 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.393 1.077 . . . . 0.0 110.906 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 144.11 51.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -174.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.85 149.18 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.434 1.094 . . . . 0.0 112.777 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 56' ' ' PHE . 24.2 mt -115.3 160.64 19.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.553 1.941 . . . . 0.0 108.44 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -117.64 95.69 5.05 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.943 0.792 . . . . 0.0 108.997 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -83.16 108.28 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 O-C-N 120.787 -1.196 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.461 ' HB ' HD21 ' A' ' 5' ' ' ASN . 24.2 t -92.55 83.16 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 m -74.53 94.53 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 C-N-CA 126.269 1.828 . . . . 0.0 107.44 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 57.71 27.29 14.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 0.0 112.295 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.71 31.42 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.686 -1.064 . . . . 0.0 114.201 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -97.42 120.66 38.19 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.177 1.488 . . . . 0.0 108.927 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -90.57 112.92 24.8 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.718 0.807 . . . . 0.0 111.093 -167.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -114.45 123.98 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -83.15 122.11 27.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.418 0.687 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.423 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 27.3 m -149.54 155.61 8.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 C-N-CA 125.255 1.422 . . . . 0.0 112.278 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -126.46 131.73 51.6 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.27 137.6 58.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.05 0.843 . . . . 0.0 111.064 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -127.47 -34.64 2.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.243 1.417 . . . . 0.0 110.482 -165.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -154.11 107.41 2.91 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.282 1.433 . . . . 0.0 107.146 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.5 m -85.74 148.96 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 165.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -126.99 107.52 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -167.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -84.27 166.56 17.39 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.39 1.076 . . . . 0.0 111.898 -170.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 162.94 40.68 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.562 0.745 . . . . 0.0 111.101 164.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.36 -33.58 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.904 2.402 . . . . 0.0 112.839 -171.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.75 -12.25 1.75 Allowed 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.25 1.02 . . . . 0.0 113.122 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.57 160.14 27.09 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.412 . . . . 0.0 108.908 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.59 9.15 1.64 Allowed 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.592 2.861 . . . . 0.0 113.505 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -79.86 -169.69 2.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.134 2.174 . . . . 0.0 111.509 -171.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 mt -125.46 158.04 35.43 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.839 2.055 . . . . 0.0 108.82 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -122.81 -23.76 4.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.88 1.672 . . . . 0.0 111.333 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -174.05 161.6 3.66 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 125.04 1.336 . . . . 0.0 109.742 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 78.1 mt -146.28 144.88 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -115.85 125.74 53.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -112.07 160.98 16.99 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 161.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.01 151.52 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.503 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -53.52 93.25 0.01 OUTLIER 'General case' 0 C--N 1.343 0.325 0 C-N-CA 126.6 1.96 . . . . 0.0 110.766 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.423 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.929 171.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m 62.56 114.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.097 2.559 . . . . 0.0 113.399 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.39 81.4 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.166 0.986 . . . . 0.0 108.365 -168.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.68 119.18 7.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.33 -161.86 1.03 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.041 1.337 . . . . 0.0 107.799 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.56 142.74 20.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 165.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 m -63.62 141.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.203 0.525 . . . . 0.0 110.799 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -137.72 155.69 48.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.509 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -134.57 -0.51 2.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.163 1.385 . . . . 0.0 112.872 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 11.57 0.61 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.066 2.146 . . . . 0.0 114.248 -176.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -38.29 9.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.892 2.077 . . . . 0.0 115.923 -166.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 7.65 0.01 OUTLIER Glycine 0 CA--C 1.545 1.938 0 C-N-CA 130.066 3.698 . . . . 0.0 120.143 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp 131.49 -27.48 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 1 C-N-CA 136.863 6.065 . . . . 0.0 109.477 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.76 -54.74 26.63 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.063 1.316 . . . . 0.0 112.176 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.58 64.04 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -64.18 -22.0 66.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -167.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -38.23 17.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 116.637 -1.649 . . . . 0.0 111.269 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -69.89 -34.89 74.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.034 1.743 . . . . 0.0 110.691 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -55.72 10.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.863 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -26.36 66.96 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.974 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.52 60.23 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.54 15.11 8.84 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.718 1.607 . . . . 0.0 112.826 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 65.93 9.28 5.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.77 0.828 . . . . 0.0 113.222 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -81.78 175.96 10.0 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.035 1.334 . . . . 0.0 108.443 165.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -159.94 153.84 19.53 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -77.12 160.75 33.0 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.679 1.586 . . . . 0.0 113.245 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.48 -178.35 5.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.479 1.111 . . . . 0.0 111.037 165.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -141.48 158.59 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.479 1.111 . . . . 0.0 110.224 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -130.0 93.44 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.966 1.706 . . . . 0.0 106.51 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -166.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo . . . . . 0 CA--C 1.532 0.411 0 N-CA-C 117.336 2.014 . . . . 0.0 117.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -150.3 102.91 3.11 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.257 1.023 . . . . 0.0 109.764 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.25 136.04 46.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.019 0.528 . . . . 0.0 109.957 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.02 141.07 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.153 1.381 . . . . 0.0 107.497 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -89.21 117.83 28.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.744 2.418 . . . . 0.0 108.548 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.84 168.34 19.24 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.35 0.595 . . . . 0.0 111.211 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.2 132.57 41.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.357 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CE1' ' H ' ' A' ' 86' ' ' LEU . 1.5 t-80 -66.68 -49.43 66.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.406 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.48 -27.43 63.23 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.853 0.752 . . . . 0.0 111.759 -170.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.56 -77.71 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 CA-C-O 117.544 -1.217 . . . . 0.0 108.001 161.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.4 -26.06 21.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 CA-C-N 119.804 1.184 . . . . 0.0 113.39 -167.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -64.26 0.82 Allowed 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 126.173 1.789 . . . . 0.0 109.34 167.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.83 -19.19 49.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.2 mmm -86.19 -68.72 0.72 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.525 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -61.6 -8.4 4.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 178.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.62 50.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.952 1.301 . . . . 0.0 112.442 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HE2' ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -127.38 152.82 46.99 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 118.71 0.686 . . . . 0.0 112.435 -168.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.13 74.99 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 -166.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.0 -38.37 85.88 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.815 1.246 . . . . 0.0 110.007 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 8.6 t80 -56.89 -46.03 82.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 120.521 1.51 . . . . 0.0 111.127 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.09 59.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.83 -176.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.3 t -85.04 -16.17 41.6 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.107 0.963 . . . . 0.0 111.552 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.21 172.22 8.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.319 1.448 . . . . 0.0 107.361 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.56 151.37 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 123.43 0.692 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 56' ' ' PHE . 12.7 mt -118.72 157.47 27.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.48 1.912 . . . . 0.0 108.067 174.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -112.02 106.73 15.46 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.07 104.74 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 125.081 1.352 . . . . 0.0 107.965 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.42 82.71 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 9.7 m -74.33 100.3 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 56.34 30.22 16.46 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.239 0.472 . . . . 0.0 111.863 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.42 -2.22 57.48 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 118.712 -1.049 . . . . 0.0 114.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 10.4 mtmt -102.84 124.44 48.37 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.064 1.432 . . . . 0.0 108.551 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -100.76 107.43 19.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.7 0.8 . . . . 0.0 110.854 -159.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.45 127.5 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -86.9 126.68 34.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.679 -0.638 . . . . 0.0 110.73 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -152.1 161.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.848 1.259 . . . . 0.0 113.169 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -131.61 136.03 47.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.91 0.884 . . . . 0.0 109.404 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.84 143.76 41.23 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.456 0.702 . . . . 0.0 112.149 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -135.61 -29.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.967 0.792 . . . . 0.0 111.527 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -158.39 100.32 1.65 Allowed 'General case' 0 C--N 1.341 0.226 0 C-N-CA 127.234 2.213 . . . . 0.0 105.986 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.85 136.15 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 161.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -98.17 139.09 34.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.428 ' C ' HE22 ' A' ' 87' ' ' GLN . 25.0 mmt85 -126.91 146.52 50.28 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 109.631 -168.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 164.16 58.66 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 123.111 0.564 . . . . 0.0 110.622 -173.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.34 -5.47 11.04 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.918 2.412 . . . . 0.0 113.72 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -135.95 -61.66 0.7 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.055 0.843 . . . . 0.0 110.036 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -80.68 168.19 27.13 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.317 1.847 . . . . 0.0 109.445 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.59 0.48 9.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.176 1.917 . . . . 0.0 114.167 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.76 158.36 3.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.424 1.489 . . . . 0.0 114.023 -163.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' H ' ' CE1' ' A' ' 44' ' ' HIS . 9.2 mt -115.74 106.57 14.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.328 1.051 . . . . 0.0 109.366 -158.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.428 HE22 ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -69.06 -27.53 65.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.35 173.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 178.44 158.14 0.49 Allowed 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.046 1.738 . . . . 0.0 109.343 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.1 mt -145.45 148.64 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 C-N-CA 125.932 1.693 . . . . 0.0 106.455 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -126.39 162.79 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.605 0.762 . . . . 0.0 109.114 168.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.01 151.97 51.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.9 m -104.69 147.57 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -56.57 91.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.22 2.208 . . . . 0.0 110.993 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 C-N-CA 124.166 0.986 . . . . 0.0 111.762 174.482 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m 64.01 108.03 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 113.782 173.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.93 84.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 123.721 0.808 . . . . 0.0 109.239 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.44 114.89 3.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -128.41 -166.26 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.768 2.027 . . . . 0.0 108.976 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -152.81 108.43 3.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.329 1.052 . . . . 0.0 109.971 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m -49.54 118.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 118.247 0.476 . . . . 0.0 110.735 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.72 145.35 51.92 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.381 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.1 mmpt? -126.49 -5.07 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.63 13.54 0.07 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.684 2.794 . . . . 0.0 115.249 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -34.7 16.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -172.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.71 -10.91 0.27 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 127.18 2.324 . . . . 0.0 116.601 -175.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 149.06 -19.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 1 C-N-CA 133.266 4.626 . . . . 0.0 110.868 159.393 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.76 -34.52 61.07 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 118.906 0.775 . . . . 0.0 112.87 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.08 -47.91 12.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.383 1.073 . . . . 0.0 110.861 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -57.52 -30.43 65.16 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.708 -0.62 . . . . 0.0 111.301 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -45.77 13.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.64 1.976 . . . . 0.0 111.038 176.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 121.811 2.096 . . . . 0.0 110.566 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.38 -61.88 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.395 1.078 . . . . 0.0 110.187 177.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -64.18 -19.69 65.49 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.431 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.37 -14.97 60.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.54 -88.59 0.34 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 169.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.77 7.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.863 2.465 . . . . 0.0 111.394 171.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -78.56 175.56 10.25 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 108.313 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.58 153.83 16.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -73.81 162.11 40.13 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.715 1.61 . . . . 0.0 113.55 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.83 177.86 8.05 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.306 1.042 . . . . 0.0 110.323 159.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -136.17 152.86 30.74 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 125.86 1.664 . . . . 0.0 109.802 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.6 mt -125.4 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.25 3.1 p90 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo . . . . . 0 N--CA 1.462 -0.369 0 N-CA-C 115.831 1.435 . . . . 0.0 115.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 tp -149.76 107.03 3.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.101 0.96 . . . . 0.0 109.26 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.52 133.19 47.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.084 0.553 . . . . 0.0 109.712 167.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.82 145.44 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 125.223 1.409 . . . . 0.0 107.591 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -104.74 106.69 17.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.911 1.684 . . . . 0.0 107.617 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.26 165.8 16.33 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-O 121.967 0.889 . . . . 0.0 111.875 -172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 125.2 28.92 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.297 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -62.91 -52.51 62.78 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.638 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.03 -32.3 72.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.832 0.742 . . . . 0.0 111.961 -173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -60.98 -75.05 0.07 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.793 -1.099 . . . . 0.0 108.626 167.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.33 -25.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-N 119.626 1.103 . . . . 0.0 113.862 -170.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -62.23 1.72 Allowed 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 125.908 1.683 . . . . 0.0 108.632 170.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.67 -22.88 48.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.45 -67.37 0.79 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.47 -18.83 3.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.506 2.323 . . . . 0.0 112.692 173.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 -1.18 9.42 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 125.715 1.606 . . . . 0.0 112.524 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 161.77 22.84 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.241 1.382 . . . . 0.0 110.603 160.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.06 -20.59 52.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.91 -21.17 57.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.68 1.592 . . . . 0.0 110.918 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 61.1 t80 -70.87 -53.03 16.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.261 -0.899 . . . . 0.0 111.946 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -80.69 -30.69 36.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.004 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -74.94 -39.81 61.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.101 0.96 . . . . 0.0 110.225 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 130.94 53.43 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -167.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.88 148.78 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.834 1.253 . . . . 0.0 113.277 -167.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 34.8 mt -112.87 151.43 30.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.081 1.353 . . . . 0.0 107.879 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -107.49 86.67 2.34 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.15 113.25 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.743 -1.223 . . . . 0.0 109.14 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.0 t -97.78 90.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 124.786 1.235 . . . . 0.0 108.625 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 30.4 m -84.42 103.83 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 109.537 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 52.66 29.78 7.82 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.09 0.471 . . . . 0.0 111.078 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.98 -0.06 58.91 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 118.63 -1.095 . . . . 0.0 114.676 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -99.41 126.76 45.36 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.316 1.558 . . . . 0.0 107.705 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -104.74 108.15 19.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.283 0.492 . . . . 0.0 110.668 -159.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.08 125.77 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 108.714 -168.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -87.86 120.09 28.85 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.518 0.727 . . . . 0.0 110.271 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 m -148.51 159.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 113.191 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -131.76 133.33 44.66 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.142 0.977 . . . . 0.0 109.4 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.61 134.53 51.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.296 0.998 . . . . 0.0 111.63 -171.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 -46.17 4.76 Favored 'General case' 0 CA--C 1.527 0.061 0 C-N-CA 125.182 1.393 . . . . 0.0 110.443 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.03 118.11 4.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.5 m -95.48 131.76 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 165.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -99.84 105.63 17.4 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.526 1.93 . . . . 0.0 105.884 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.0 163.85 27.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.273 1.029 . . . . 0.0 109.959 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.69 160.28 80.42 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.185 0.594 . . . . 0.0 110.508 165.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -84.86 -26.03 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.834 3.022 . . . . 0.0 113.289 -172.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -141.85 2.3 1.55 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.626 1.571 . . . . 0.0 112.306 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.18 155.43 67.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 C-N-CA 124.724 1.21 . . . . 0.0 109.15 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -78.77 62.88 8.5 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.739 2.959 . . . . 0.0 108.964 166.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -132.05 -177.81 4.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.632 1.173 . . . . 0.0 109.056 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 mt -122.32 156.3 34.17 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 126.278 1.831 . . . . 0.0 108.78 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -117.48 -30.21 5.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.103 1.761 . . . . 0.0 110.808 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -178.69 162.14 1.34 Allowed 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.64 1.576 . . . . 0.0 109.803 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.2 mt -144.75 144.54 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -116.28 132.06 56.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.092 2.157 . . . . 0.0 106.61 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.4 157.05 31.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.33 153.61 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -57.58 98.74 0.03 OUTLIER 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.171 0.989 . . . . 0.0 110.943 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.528 -0.748 . . . . 0.0 111.226 161.736 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 64.8 109.8 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.664 2.785 . . . . 0.0 113.033 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 81.56 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.138 0.975 . . . . 0.0 108.517 -168.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.479 HD21 ' HB ' ' A' ' 64' ' ' VAL . 2.6 m120 -60.17 117.41 5.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.985 -174.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.77 -161.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 107.88 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -157.13 140.02 15.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.55 142.01 17.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-O 121.277 0.561 . . . . 0.0 110.894 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -136.2 157.7 46.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.597 173.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.0 mmpt? -135.11 -0.34 2.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.735 1.214 . . . . 0.0 112.831 169.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.13 14.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.072 1.749 . . . . 0.0 113.517 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -34.0 9.68 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.793 2.037 . . . . 0.0 115.149 -172.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.5 -25.16 0.27 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 127.484 2.469 . . . . 0.0 116.226 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 167.36 -26.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 130.659 3.583 . . . . 0.0 109.225 158.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.46 66.56 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.21 1.386 . . . . 0.0 112.925 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.23 39.97 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -58.43 -27.89 64.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.39 -0.819 . . . . 0.0 111.619 -172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.21 23.77 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 116.752 -1.594 . . . . 0.0 113.456 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.97 -38.84 31.37 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.414 1.916 . . . . 0.0 110.164 173.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -54.14 44.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.051 0.94 . . . . 0.0 108.609 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -17.48 64.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 118.134 -0.936 . . . . 0.0 113.401 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.72 62.22 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-O 117.803 -1.094 . . . . 0.0 113.419 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.14 -85.78 0.5 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.695 1.134 . . . . 0.0 108.364 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.99 8.25 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 112.295 -170.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -100.1 174.84 5.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.756 1.222 . . . . 0.0 108.366 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CZ ' HG13 ' A' ' 47' ' ' VAL . 2.8 p90 -158.32 153.31 21.39 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -74.04 156.25 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.8 1.667 . . . . 0.0 112.557 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.03 178.09 7.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.058 0.943 . . . . 0.0 110.264 162.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -135.69 154.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 125.29 1.436 . . . . 0.0 109.853 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.0 mt -126.17 97.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 CA--C 1.54 0.778 0 CA-C-O 120.589 0.162 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -152.56 99.85 2.5 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.233 0.613 . . . . 0.0 110.671 -169.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.69 133.36 46.56 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.26 138.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -86.44 117.93 25.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.366 2.267 . . . . 0.0 108.831 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.53 168.38 19.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 111.648 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.3 133.28 38.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.286 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.79 -53.71 36.67 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.174 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.71 -26.35 65.23 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.544 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -58.52 -76.21 0.04 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 162.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.417 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -57.26 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -63.89 0.97 Allowed 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 126.019 1.727 . . . . 0.0 108.641 168.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -56.61 -20.74 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmt -84.47 -67.96 0.76 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -57.15 -13.99 3.59 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.375 1.443 . . . . 0.0 113.778 176.47 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.97 -8.33 52.43 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.208 -2.33 . . . . 0.0 115.174 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER -115.98 11.27 15.36 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 122.643 2.474 . . . . 0.0 117.546 -174.092 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.93 -38.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 130.409 3.484 . . . . 0.0 115.062 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -52.56 -14.34 0.49 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 128.742 2.817 . . . . 0.0 112.176 163.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.2 t80 -69.95 -51.63 31.11 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 120.77 -1.206 . . . . 0.0 111.836 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -78.5 -29.2 46.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.087 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 t -80.0 -41.58 25.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.431 1.092 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.42 114.28 21.57 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -168.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.01 143.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.279 2.232 . . . . 0.0 113.419 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 56' ' ' PHE . 10.0 mt -109.76 160.59 16.2 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.3 1.04 . . . . 0.0 109.057 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.3 13.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 mm -89.98 106.46 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.12 1.368 . . . . 0.0 107.676 -173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' A' ' 5' ' ' ASN . 36.1 t -94.31 79.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -171.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.76 95.68 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.139 1.376 . . . . 0.0 108.361 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 55.76 26.55 9.62 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.07 0.948 . . . . 0.0 112.508 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 -7.35 30.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.75 1.167 . . . . 0.0 114.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -96.72 121.06 38.15 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 119.223 1.512 . . . . 0.0 108.218 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.67 109.17 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.531 1.132 . . . . 0.0 111.179 -164.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.97 128.87 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -169.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -84.97 123.36 30.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.661 0.784 . . . . 0.0 110.944 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 m -149.94 160.63 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 124.363 1.04 . . . . 0.0 113.771 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -137.22 136.41 38.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.876 1.27 . . . . 0.0 109.532 -178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 152.36 15.55 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.54 -43.94 0.83 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.105 1.362 . . . . 0.0 111.099 171.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -141.15 88.55 2.17 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.5 m -85.39 139.52 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 160.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -121.73 117.98 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 127.023 2.129 . . . . 0.0 106.406 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -86.3 164.76 16.92 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.719 0.807 . . . . 0.0 110.459 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 161.01 55.63 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 123.894 0.878 . . . . 0.0 110.508 169.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -84.17 -6.62 10.23 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.392 2.728 . . . . 0.0 113.627 -171.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -144.28 -57.16 0.37 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.598 1.09 . . . . 0.0 110.735 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -74.32 155.56 87.8 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.274 1.43 . . . . 0.0 109.85 170.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 19.34 0.77 Allowed 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.044 3.162 . . . . 0.0 113.602 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -77.05 -164.26 0.43 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.853 1.661 . . . . 0.0 110.6 -175.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.2 mt -126.81 160.14 31.77 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.592 1.157 . . . . 0.0 110.598 -176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -126.7 -28.44 2.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 111.615 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -170.55 157.77 6.01 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -145.36 146.08 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.691 1.196 . . . . 0.0 109.077 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.04 129.32 47.8 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.887 2.075 . . . . 0.0 106.484 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.06 149.25 41.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 170.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.49 153.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -61.88 91.48 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.327 1.451 . . . . 0.0 110.971 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.592 171.639 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m 57.49 101.27 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.445 2.298 . . . . 0.0 114.037 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.42 85.21 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -167.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.68 113.79 2.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.55 -161.96 0.85 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.387 1.475 . . . . 0.0 108.127 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.43 137.64 12.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.051 2.14 . . . . 0.0 105.415 170.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.87 143.95 15.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 121.798 -0.564 . . . . 0.0 111.051 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.48 150.21 35.16 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.5 mmpt? -127.19 2.59 6.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.248 1.819 . . . . 0.0 112.196 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.05 7.29 0.57 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.204 2.602 . . . . 0.0 115.588 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -29.84 17.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -162.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.75 43.98 0.01 OUTLIER Glycine 0 CA--C 1.545 1.928 0 C-N-CA 129.726 3.536 . . . . 0.0 117.942 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER 74.82 -19.46 0.38 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 130.674 3.59 . . . . 0.0 111.847 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.08 -68.31 1.75 Allowed Glycine 0 C--N 1.343 0.972 0 C-N-CA 126.357 1.932 . . . . 0.0 111.267 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . . . -56.3 -26.33 51.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.949 1.374 . . . . 0.0 112.332 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -69.92 -35.02 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.779 -0.575 . . . . 0.0 110.218 -171.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.48 -17.85 23.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.94 1.696 . . . . 0.0 112.076 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 mtt85 -78.47 -46.37 19.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.01 1.277 . . . . 0.0 109.984 174.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.25 -51.98 46.51 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.84 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -21.59 66.02 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.993 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -16.51 61.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.36 15.3 13.0 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.343 1.457 . . . . 0.0 112.597 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 66.62 7.93 5.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.953 0.901 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CG ' ' A' ' 41' ' ' GLU . 14.0 mtmm -84.6 179.14 7.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.106 1.362 . . . . 0.0 107.377 165.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -163.74 154.54 13.73 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -74.09 156.58 47.13 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.481 1.454 . . . . 0.0 111.809 -172.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.36 177.5 8.06 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.648 0.779 . . . . 0.0 110.01 162.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -133.62 154.75 39.22 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 124.688 1.195 . . . . 0.0 109.384 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.73 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -168.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo . . . . . 0 CA--C 1.534 0.525 0 N-CA-C 116.138 1.553 . . . . 0.0 116.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tp -154.22 106.45 2.79 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.641 1.177 . . . . 0.0 109.712 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.52 135.85 44.04 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.91 134.56 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 125.808 1.643 . . . . 0.0 107.889 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' CG ' ' HE2' ' A' ' 25' ' ' LYS . 25.4 tt0 -83.93 114.87 21.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.426 2.69 . . . . 0.0 109.102 173.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.49 166.65 20.87 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.601 0.761 . . . . 0.0 111.34 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.57 132.57 41.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.628 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -50.93 48.2 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.335 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -29.07 68.3 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.238 0.472 . . . . 0.0 111.198 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -59.83 -75.31 0.06 Allowed 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 166.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.0 p -57.81 -26.63 28.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -168.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 tpp -50.61 -62.49 1.57 Allowed 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.822 0.849 . . . . 0.0 108.878 170.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.22 -22.48 41.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -81.25 -66.64 0.86 Allowed 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.11 -17.76 3.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.539 2.336 . . . . 0.0 112.832 173.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.11 -5.99 30.83 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 125.401 1.481 . . . . 0.0 112.474 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 157.24 34.92 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.334 1.425 . . . . 0.0 110.198 166.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -21.03 61.62 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.629 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.38 -23.59 50.11 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.54 1.536 . . . . 0.0 111.55 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 50.2 t80 -71.96 -52.97 14.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.321 -0.862 . . . . 0.0 111.994 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -76.27 -30.07 57.67 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 t -80.71 -40.53 25.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.27 1.028 . . . . 0.0 110.766 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.17 120.61 33.72 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -166.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -51.46 146.86 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.081 1.752 . . . . 0.0 114.416 -166.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.4 mt -109.86 158.22 18.4 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.008 1.723 . . . . 0.0 107.493 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -115.98 98.99 6.95 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.55 110.89 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 121.384 -0.822 . . . . 0.0 108.951 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.73 81.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.85 96.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.232 0 C-N-CA 125.675 1.59 . . . . 0.0 108.364 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t70 55.19 27.84 10.21 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.932 0.893 . . . . 0.0 112.29 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.38 -2.3 37.22 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 118.476 -1.18 . . . . 0.0 114.697 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -100.72 124.75 46.79 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.498 1.649 . . . . 0.0 107.988 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.32 108.01 19.07 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.709 0.804 . . . . 0.0 110.832 -159.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.89 126.57 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -166.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -83.57 124.62 30.95 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 122.932 0.493 . . . . 0.0 110.214 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -153.83 162.37 2.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 O-C-N 124.852 1.345 . . . . 0.0 111.733 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -148.03 142.74 26.65 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 122.055 -0.403 . . . . 0.0 110.247 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 128.75 37.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.787 -170.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -115.64 -18.49 10.86 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.166 0.916 . . . . 0.0 111.707 167.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -151.36 98.64 2.56 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -95.24 144.93 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 162.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.97 112.11 20.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 126.366 1.866 . . . . 0.0 106.382 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -81.83 164.59 21.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.97 1.308 . . . . 0.0 110.804 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.85 66.22 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.139 0.576 . . . . 0.0 110.677 162.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -83.88 -25.69 2.26 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.919 3.08 . . . . 0.0 113.218 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 10.68 0.86 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.048 0.939 . . . . 0.0 112.697 -176.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -123.45 157.56 61.47 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 125.144 1.377 . . . . 0.0 108.862 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.23 55.15 5.25 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.113 3.208 . . . . 0.0 109.739 167.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -126.46 -176.11 3.58 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.612 1.165 . . . . 0.0 109.312 -175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -127.94 159.88 33.58 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 125.763 1.625 . . . . 0.0 108.044 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.22 -25.26 4.9 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.426 1.49 . . . . 0.0 110.708 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -177.82 158.33 1.28 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 110.228 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.3 mt -143.77 148.73 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 124.116 0.966 . . . . 0.0 108.772 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.43 117.42 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.406 2.282 . . . . 0.0 106.435 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.52 140.98 39.67 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.34 148.29 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-N 119.393 0.997 . . . . 0.0 108.943 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -59.85 91.94 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.474 1.91 . . . . 0.0 110.629 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.772 -1.585 . . . . 0.0 111.474 169.517 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m 68.0 108.31 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.35 2.66 . . . . 0.0 112.317 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.49 83.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 -169.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.521 HD21 ' HB ' ' A' ' 64' ' ' VAL . 1.9 m120 -59.84 117.97 5.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.082 0.553 . . . . 0.0 109.543 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.95 -161.19 0.94 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.724 1.61 . . . . 0.0 108.082 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.4 139.96 13.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.858 2.063 . . . . 0.0 106.143 167.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 m -63.21 134.37 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 O-C-N 121.62 -0.675 . . . . 0.0 111.118 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -127.64 156.78 41.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.747 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.7 mmpt? -134.83 -2.88 2.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.264 1.426 . . . . 0.0 113.061 167.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.23 12.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.903 2.481 . . . . 0.0 115.127 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -34.59 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -172.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.97 -16.87 0.05 OUTLIER Glycine 0 CA--C 1.532 1.144 0 C-N-CA 128.12 2.771 . . . . 0.0 117.591 -174.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 160.89 -34.16 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 1 C-N-CA 132.402 4.281 . . . . 0.0 107.805 159.643 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.83 -33.32 49.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.14 1.829 . . . . 0.0 113.988 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -51.24 12.76 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.439 1.12 . . . . 0.0 110.385 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 m -58.37 -23.52 57.22 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.34 -0.85 . . . . 0.0 112.526 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -36.23 14.2 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 126.223 1.809 . . . . 0.0 112.688 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.86 -40.56 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 121.445 1.929 . . . . 0.0 110.399 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.62 -59.52 5.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.764 1.226 . . . . 0.0 109.944 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -64.46 -19.15 65.38 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.505 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -15.45 60.24 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.95 -92.84 0.22 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 167.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -165.74 9.92 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.769 2.427 . . . . 0.0 111.164 169.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -75.31 174.37 9.63 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.796 1.639 . . . . 0.0 108.471 174.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CZ ' HG13 ' A' ' 47' ' ' VAL . 3.6 p90 -159.35 151.74 17.62 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.75 158.91 49.61 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.144 1.229 . . . . 0.0 113.347 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.71 179.41 7.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.253 1.021 . . . . 0.0 110.631 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.46 160.81 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 124.546 1.138 . . . . 0.0 109.394 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -131.14 95.26 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -171.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo . . . . . 0 CA--C 1.543 0.926 0 N-CA-C 111.8 -0.115 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -152.44 102.31 2.73 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.651 0.78 . . . . 0.0 109.799 -171.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.32 133.83 43.98 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -140.61 127.44 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -174.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.48 122.8 26.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.378 2.671 . . . . 0.0 109.432 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.34 169.33 17.87 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.84 0.829 . . . . 0.0 113.122 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.28 131.69 39.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.757 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.09 -51.25 62.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.224 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.43 -40.71 78.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.294 0.497 . . . . 0.0 111.392 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 3.5 p -55.29 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 tpp -49.94 -63.37 1.13 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.033 1.333 . . . . 0.0 108.787 172.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.39 -19.58 48.2 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.71 -69.3 0.65 Allowed 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -51.66 -19.89 1.78 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.871 2.868 . . . . 0.0 113.896 176.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.61 -19.46 26.17 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.377 1.471 . . . . 0.0 113.028 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.75 45.44 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-O 121.402 0.62 . . . . 0.0 112.384 -171.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.22 75.12 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.065 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -5.64 36.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.882 1.673 . . . . 0.0 111.911 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 17.7 t80 -82.16 -53.63 5.92 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.725 167.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -69.36 -32.22 71.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 118.134 -1.426 . . . . 0.0 110.924 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -82.79 -34.58 26.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.682 1.193 . . . . 0.0 111.963 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.09 115.1 22.46 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.526 1.057 . . . . 0.0 108.17 -166.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.14 142.2 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 127.35 2.26 . . . . 0.0 113.346 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 56' ' ' PHE . 10.2 mt -114.33 156.1 25.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.485 1.114 . . . . 0.0 108.9 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -110.25 99.63 8.64 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mm -78.45 107.67 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 121.026 -1.046 . . . . 0.0 108.425 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.521 ' HB ' HD21 ' A' ' 5' ' ' ASN . 40.0 t -91.92 84.74 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 -177.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 m -76.71 97.84 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.43 29.83 17.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.88 0.372 . . . . 0.0 111.787 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.93 -3.46 52.29 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.696 -1.058 . . . . 0.0 114.485 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -102.43 123.1 45.59 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.114 1.457 . . . . 0.0 109.258 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.24 110.58 23.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.953 0.901 . . . . 0.0 111.084 -162.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.5 131.9 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -172.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -88.23 129.31 35.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.65 1.18 . . . . 0.0 110.756 173.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 24.1 m -153.95 160.31 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.671 1.988 . . . . 0.0 111.091 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -131.89 132.78 43.93 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.854 0.862 . . . . 0.0 109.315 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.05 134.12 56.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.388 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -113.68 -31.56 6.43 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.946 0.779 . . . . 0.0 112.153 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -155.22 109.39 2.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.085 1.354 . . . . 0.0 107.489 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.9 m -97.01 146.15 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 164.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.12 115.67 20.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -80.03 166.1 21.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.198 0.999 . . . . 0.0 111.439 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.7 161.14 47.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 122.994 0.518 . . . . 0.0 110.808 163.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.55 -26.27 3.29 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.403 2.736 . . . . 0.0 113.38 -173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -139.67 -6.68 1.3 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.195 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -114.74 155.72 45.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 124.769 1.227 . . . . 0.0 109.055 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 56.79 5.81 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.893 3.062 . . . . 0.0 110.154 171.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -124.81 -170.77 2.22 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 125.146 1.378 . . . . 0.0 109.949 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 mt -129.04 144.29 51.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.163 1.785 . . . . 0.0 108.083 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.92 -32.37 11.35 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.044 1.738 . . . . 0.0 110.241 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -176.46 157.94 1.74 Allowed 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.29 1.436 . . . . 0.0 109.091 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 80.1 mt -145.9 148.84 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -119.29 156.44 29.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 164.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.74 157.16 39.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 165.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.39 143.61 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -56.3 95.86 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.464 1.906 . . . . 0.0 112.796 -164.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.427 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.254 1.327 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.711 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.077 0 CA-C-O 123.419 1.58 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -84.77 127.98 34.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 128.421 2.689 . . . . 0.0 108.015 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.56 81.35 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -168.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.483 HD21 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -62.25 116.17 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.306 1.042 . . . . 0.0 109.368 -170.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.48 -161.39 0.94 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.426 1.09 . . . . 0.0 108.533 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -154.46 140.63 18.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.4 139.43 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.913 0.387 . . . . 0.0 110.221 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.34 145.36 37.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.061 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -125.44 3.03 7.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.865 0.866 . . . . 0.0 112.826 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.17 15.1 1.24 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.377 1.871 . . . . 0.0 113.023 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.0 33.5 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.149 2.18 . . . . 0.0 115.863 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.56 22.64 0.03 OUTLIER Glycine 0 CA--C 1.543 1.835 0 C-N-CA 128.242 2.829 . . . . 0.0 118.628 -171.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 124.86 -30.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 136.993 6.117 . . . . 0.0 109.802 168.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.3 98.31 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.438 1.018 . . . . 0.0 113.145 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.48 54.83 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 117.815 0.807 . . . . 0.0 111.222 172.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -60.44 -27.25 67.36 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.613 -0.679 . . . . 0.0 111.434 -173.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -35.0 16.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.062 -1.447 . . . . 0.0 111.645 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -73.65 -39.66 64.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 121.092 1.769 . . . . 0.0 109.604 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -56.23 17.67 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.818 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.977 0.808 . . . . 0.0 111.665 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.28 -11.62 60.32 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.5 13.57 8.78 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.474 1.51 . . . . 0.0 112.852 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 64.68 10.98 6.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.521 0.728 . . . . 0.0 112.949 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -82.41 174.64 10.91 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 163.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.78 154.93 17.52 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.81 161.43 45.96 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.08 1.853 . . . . 0.0 113.915 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.46 7.14 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.936 160.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 tp -138.28 153.81 27.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.721 1.608 . . . . 0.0 110.424 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.3 mt -131.71 110.14 16.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 126.574 1.95 . . . . 0.0 105.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.271 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo . . . . . 0 CA--C 1.539 0.734 0 N-CA-C 113.502 0.539 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.67 100.72 1.95 Allowed 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.323 1.049 . . . . 0.0 109.653 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.16 139.54 50.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.032 -0.418 . . . . 0.0 110.161 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.68 146.4 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 C-N-CA 125.3 1.44 . . . . 0.0 107.875 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.66 115.91 31.34 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 128.589 2.756 . . . . 0.0 108.779 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.76 169.4 17.4 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.323 0.649 . . . . 0.0 111.835 -176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.25 132.23 39.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.768 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -52.0 46.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.687 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.52 -27.39 67.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.106 0.866 . . . . 0.0 112.194 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -61.2 -81.81 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.42 1.088 . . . . 0.0 108.829 164.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.62 -28.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 tpt -48.37 -66.47 0.4 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 125.726 1.61 . . . . 0.0 110.394 166.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.53 -20.55 5.09 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 172.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -87.2 -65.37 1.02 Allowed 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 117.778 -1.106 . . . . 0.0 108.197 -173.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.1 pp0? -60.74 -8.28 2.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 121.45 1.932 . . . . 0.0 113.656 173.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 1.83 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.096 1.358 . . . . 0.0 112.216 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 156.78 41.92 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.607 1.549 . . . . 0.0 109.498 160.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.56 62.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.907 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.42 -18.13 48.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.948 2.099 . . . . 0.0 112.2 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 52.4 t80 -75.76 -47.16 27.07 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 122.498 1.142 . . . . 0.0 111.788 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -70.31 -37.71 74.81 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.249 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -80.94 -51.64 8.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.745 1.618 . . . . 0.0 109.93 -174.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.65 123.98 49.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.77 146.5 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.331 1.452 . . . . 0.0 111.991 -165.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 56' ' ' PHE . 29.1 mt -106.24 152.87 22.95 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 125.869 1.668 . . . . 0.0 108.414 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 m -111.99 100.65 9.05 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.709 0.686 . . . . 0.0 109.475 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mm -78.37 110.54 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 120.985 -1.072 . . . . 0.0 108.707 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.483 ' HB ' HD21 ' A' ' 5' ' ' ASN . 47.3 t -93.38 82.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 m -74.06 96.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.771 1.628 . . . . 0.0 107.784 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 56.85 25.95 11.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.749 0.82 . . . . 0.0 112.448 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.23 34.07 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.767 1.175 . . . . 0.0 114.497 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -97.49 122.85 41.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.167 1.483 . . . . 0.0 108.18 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.34 109.58 22.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.768 0.827 . . . . 0.0 111.114 -162.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.97 125.16 70.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -83.81 122.54 28.82 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.317 0.647 . . . . 0.0 110.74 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.9 m -152.2 161.32 3.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 O-C-N 124.464 1.103 . . . . 0.0 112.277 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.39 143.6 31.71 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.693 -0.63 . . . . 0.0 109.79 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.55 118.48 20.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.831 -163.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.86 -14.09 14.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.388 1.055 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -158.13 103.69 1.85 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.511 1.524 . . . . 0.0 108.102 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.4 m -98.41 137.35 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 161.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -107.4 109.28 20.97 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.975 1.71 . . . . 0.0 106.851 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -78.32 161.43 27.22 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.652 0.781 . . . . 0.0 109.94 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.29 159.96 77.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.143 0.577 . . . . 0.0 110.533 168.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.15 -27.25 1.57 Allowed 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 123.741 2.96 . . . . 0.0 113.263 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -144.42 7.3 1.32 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.252 1.421 . . . . 0.0 112.145 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -125.53 156.11 71.05 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.177 1.391 . . . . 0.0 109.03 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.52 63.17 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.818 3.012 . . . . 0.0 109.152 167.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -133.51 -176.28 4.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.698 1.199 . . . . 0.0 109.801 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 mt -124.49 156.72 36.8 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.135 1.774 . . . . 0.0 108.712 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -117.16 -32.56 4.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.686 1.594 . . . . 0.0 110.089 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -177.34 158.06 1.4 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.783 1.633 . . . . 0.0 109.899 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -142.83 144.47 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.001 0.92 . . . . 0.0 108.606 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.22 134.04 55.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.276 2.23 . . . . 0.0 105.973 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -122.12 151.73 40.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 167.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.76 150.5 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 93.99 0.02 OUTLIER 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.862 1.665 . . . . 0.0 110.52 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 116.337 -1.792 . . . . 0.0 112.365 169.726 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 62' ' ' THR . 3.7 m 65.43 120.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.116 2.566 . . . . 0.0 113.82 168.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.36 79.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 123.891 0.876 . . . . 0.0 109.29 -165.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.75 123.95 18.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -174.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.95 -166.2 1.72 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.045 1.338 . . . . 0.0 110.162 -174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -154.83 109.14 2.96 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.472 1.509 . . . . 0.0 109.775 -168.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -55.3 112.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.171 0.51 . . . . 0.0 110.489 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.07 139.14 53.21 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.197 -171.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 9.9 mmpt? -126.31 3.27 7.04 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.86 0.725 . . . . 0.0 112.919 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.74 16.61 0.37 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.876 2.07 . . . . 0.0 112.915 -174.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -69.05 0.15 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 126.129 1.772 . . . . 0.0 113.56 -158.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 10.04 -76.01 0.0 OUTLIER Glycine 0 C--N 1.342 0.912 1 C-N-CA 131.185 4.231 . . . . 0.0 115.541 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -155.69 -17.87 0.11 Allowed 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.519 -0.989 . . . . 0.0 110.125 159.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.86 -42.82 80.75 Favored Glycine 0 C--N 1.346 1.127 0 C-N-CA 126.317 1.913 . . . . 0.0 112.799 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.29 71.54 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.054 1.427 . . . . 0.0 110.222 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -62.61 -16.48 56.8 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.454 0.702 . . . . 0.0 112.584 -170.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -28.53 12.91 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.146 -1.407 . . . . 0.0 113.689 177.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -71.62 -37.18 70.93 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.038 1.744 . . . . 0.0 109.567 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -58.13 6.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.544 1.138 . . . . 0.0 109.682 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -58.92 -28.71 66.47 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 118.594 0.634 . . . . 0.0 111.98 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.89 -23.04 63.19 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.7 16.45 17.46 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.824 1.249 . . . . 0.0 111.984 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.95 11.89 7.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.533 0.733 . . . . 0.0 112.824 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.4 mtmm -85.26 175.06 9.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 167.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -160.44 152.06 16.41 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.82 159.3 48.64 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.464 1.443 . . . . 0.0 113.159 -169.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 177.44 8.85 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.34 1.056 . . . . 0.0 110.568 164.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 tp -134.85 156.14 39.42 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 C-N-CA 124.756 1.223 . . . . 0.0 109.397 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -125.3 80.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 104.442 -2.429 . . . . 0.0 104.442 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 N--CA 1.453 -0.291 0 O-C-N 123.302 0.376 . . . . 0.0 110.423 176.135 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo . . . . . 0 N--CA 1.451 -1.012 0 N-CA-C 117.228 1.972 . . . . 0.0 117.228 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.05 103.65 3.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.34 138.29 53.61 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.77 141.04 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 3.1 tt0 -104.1 111.19 23.67 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.07 1.748 . . . . 0.0 107.578 -168.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -129.19 166.1 20.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.605 0.762 . . . . 0.0 112.511 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.69 132.73 45.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.957 0.903 . . . . 0.0 109.491 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -70.62 -50.71 34.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.923 -0.561 . . . . 0.0 109.935 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.09 -28.41 68.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.5 0.591 . . . . 0.0 111.335 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.94 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.347 0.466 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -54.18 -26.97 16.03 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -167.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -63.24 1.16 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.147 1.779 . . . . 0.0 109.653 169.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -56.64 -21.87 30.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.704 1.138 . . . . 0.0 113.867 173.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 mmm -85.18 -65.88 0.96 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.458 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.17 -8.49 3.61 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 121.104 1.774 . . . . 0.0 113.885 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -1.04 17.73 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.792 1.637 . . . . 0.0 112.256 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 157.5 37.16 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.574 1.533 . . . . 0.0 109.94 159.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.68 60.1 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -57.25 -20.28 26.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.437 1.895 . . . . 0.0 111.273 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 76.1 t80 -68.33 -56.09 9.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.907 -1.121 . . . . 0.0 111.697 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -77.36 -28.24 52.88 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.607 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -76.54 -50.23 14.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.844 1.258 . . . . 0.0 110.211 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.78 103.43 12.51 Favored 'General case' 0 C--N 1.344 0.336 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -161.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -40.53 124.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 128.074 2.55 . . . . 0.0 113.323 -170.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 63.6 mt -88.8 151.75 22.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.797 1.239 . . . . 0.0 107.712 -171.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.41 ' HB ' HG22 ' A' ' 3' ' ' THR . 4.4 m -109.76 99.33 8.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.1 108.86 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.01 82.8 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 m -75.87 97.75 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 C-N-CA 126.423 1.889 . . . . 0.0 106.234 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.21 23.88 9.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.523 0.729 . . . . 0.0 112.265 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.94 -10.35 29.56 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.771 -1.016 . . . . 0.0 114.673 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -97.93 128.94 44.83 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.047 1.423 . . . . 0.0 109.108 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -97.59 110.81 23.3 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.503 0.721 . . . . 0.0 111.518 -163.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.7 128.97 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -170.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -88.75 126.04 35.15 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.19 0.996 . . . . 0.0 110.775 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.3 m -152.49 161.11 2.95 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 C-N-CA 125.786 1.635 . . . . 0.0 111.088 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -133.26 134.06 43.45 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.625 0.77 . . . . 0.0 109.525 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 139.86 57.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.349 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -118.17 -43.24 2.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.966 0.906 . . . . 0.0 110.448 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -146.75 105.74 3.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.4 m -89.96 143.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 161.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.06 114.49 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 -79.08 162.17 26.04 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.213 0.53 . . . . 0.0 110.092 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 160.62 70.55 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 123.79 0.836 . . . . 0.0 110.58 170.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.28 -7.7 9.91 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.291 2.661 . . . . 0.0 113.333 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -143.48 -57.46 0.4 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.617 1.099 . . . . 0.0 111.039 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' H ' ' HG2' ' A' ' 83' ' ' LYS . 14.7 ptmt -78.63 158.0 76.41 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.228 1.811 . . . . 0.0 109.766 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.54 16.18 1.11 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.694 2.93 . . . . 0.0 114.347 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.86 -169.76 0.5 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.381 1.472 . . . . 0.0 111.566 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.57 155.25 35.43 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 126.875 2.07 . . . . 0.0 108.776 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.0 -37.3 7.01 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.931 1.692 . . . . 0.0 110.155 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -178.5 157.74 1.02 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.872 1.669 . . . . 0.0 108.934 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.9 mt -144.48 148.22 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -122.38 154.21 38.0 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.599 0.76 . . . . 0.0 109.128 168.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.99 148.02 50.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.26 144.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.53 99.66 0.04 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.425 1.49 . . . . 0.0 110.089 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.271 168.176 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m 67.46 103.77 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.168 2.987 . . . . 0.0 112.073 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.72 82.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -166.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.04 115.32 3.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.64 -161.87 0.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.926 1.69 . . . . 0.0 108.095 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.1 139.72 12.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.777 2.031 . . . . 0.0 106.217 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.12 141.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 123.394 0.678 . . . . 0.0 111.976 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 149.57 35.55 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.6 mmpt? -131.21 -5.72 3.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.264 1.825 . . . . 0.0 113.52 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -69.92 15.54 0.08 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.271 2.628 . . . . 0.0 114.943 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -32.97 17.72 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 -169.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.74 -3.92 0.02 OUTLIER Glycine 0 CA--C 1.546 1.992 0 C-N-CA 128.396 2.903 . . . . 0.0 118.648 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 136.41 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.809 5.244 . . . . 0.0 110.451 166.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.51 -46.4 92.04 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.285 0.948 . . . . 0.0 112.571 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.55 93.82 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 121.989 0.9 . . . . 0.0 109.889 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -27.37 67.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.727 0.811 . . . . 0.0 111.308 -167.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -43.45 12.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 116.498 -1.715 . . . . 0.0 111.419 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.24 -35.6 79.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.563 1.983 . . . . 0.0 111.577 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -59.06 3.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.034 -175.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -65.11 -18.56 65.4 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.074 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.31 60.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 171.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.31 19.21 11.43 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.526 1.53 . . . . 0.0 112.118 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.84 6.21 4.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.143 0.977 . . . . 0.0 113.44 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -84.47 176.87 8.37 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.535 1.134 . . . . 0.0 108.577 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -159.66 152.43 17.96 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.2 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.888 1.725 . . . . 0.0 112.07 -173.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.55 179.94 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 110.676 163.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.1 tp -139.0 156.8 28.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 124.64 1.176 . . . . 0.0 109.928 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mt -126.22 88.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 115.153 1.174 . . . . 0.0 115.153 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -146.8 101.63 3.46 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.613 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.56 135.36 45.57 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.42 132.58 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.894 1.677 . . . . 0.0 107.626 -174.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.62 118.84 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 127.993 2.517 . . . . 0.0 108.614 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.99 166.33 23.91 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.793 0.806 . . . . 0.0 110.881 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 131.99 39.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.374 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.86 -49.52 74.55 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 123.595 0.758 . . . . 0.0 109.67 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.56 -36.49 82.84 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.53 0.604 . . . . 0.0 111.845 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -74.28 0.07 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 170.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -58.87 -26.4 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -61.07 2.38 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.524 1.53 . . . . 0.0 108.109 171.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -57.42 -23.84 51.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.687 1.131 . . . . 0.0 113.972 173.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 mmt -81.01 -68.79 0.66 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 119.073 0.851 . . . . 0.0 109.758 -174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.82 -7.03 3.12 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.758 1.163 . . . . 0.0 113.583 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 -3.96 23.55 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 125.035 1.334 . . . . 0.0 112.613 172.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 159.21 33.78 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.38 1.446 . . . . 0.0 110.831 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.95 60.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.11 -20.89 28.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.281 1.432 . . . . 0.0 111.783 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 75.4 t80 -71.51 -51.87 21.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.191 -0.943 . . . . 0.0 112.179 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -81.7 -29.05 33.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.674 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 t -85.22 -22.89 28.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.707 1.203 . . . . 0.0 111.847 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 127.61 34.62 Favored 'General case' 0 C--N 1.343 0.309 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -175.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.04 145.47 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 126.001 1.72 . . . . 0.0 112.931 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 HD11 ' CE2' ' A' ' 56' ' ' PHE . 19.7 mt -113.02 157.09 21.97 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 107.831 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 m -110.27 99.56 8.59 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mm -74.77 111.35 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 O-C-N 120.864 -1.148 . . . . 0.0 108.562 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.4 84.65 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 18.6 m -75.5 99.94 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.271 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 55.78 30.29 15.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 118.267 0.485 . . . . 0.0 111.803 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.0 -1.12 57.66 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.71 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 6.1 mtmt -102.35 124.99 48.9 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.226 1.513 . . . . 0.0 108.03 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.84 107.38 18.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.276 0.63 . . . . 0.0 111.198 -158.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.32 130.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -84.54 127.92 34.31 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.734 0.814 . . . . 0.0 111.191 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.21 164.49 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 125.144 1.378 . . . . 0.0 112.7 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.56 137.72 21.76 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.18 154.65 19.17 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -165.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -129.99 -34.58 1.68 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 165.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.44 93.4 2.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -84.71 140.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 158.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -119.03 110.77 17.49 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.014 2.126 . . . . 0.0 105.805 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -77.31 165.25 24.71 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.359 0.664 . . . . 0.0 109.589 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 156.32 39.25 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 164.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -80.99 -16.13 10.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.453 2.768 . . . . 0.0 112.964 -169.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -148.59 5.35 0.7 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 112.227 -177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -133.86 158.76 74.68 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.408 1.483 . . . . 0.0 108.748 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.08 16.09 0.7 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.798 2.999 . . . . 0.0 113.498 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -83.83 -170.78 3.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.544 1.538 . . . . 0.0 110.709 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.01 163.69 16.58 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.532 1.933 . . . . 0.0 109.874 173.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.07 -35.2 2.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 127.678 2.391 . . . . 0.0 110.603 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.63 157.42 4.7 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 124.847 1.259 . . . . 0.0 109.884 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.9 mt -145.54 148.96 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -125.34 160.88 28.26 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.397 0.679 . . . . 0.0 109.783 165.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.38 142.56 43.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.27 148.58 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.609 1.095 . . . . 0.0 108.608 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -57.54 94.44 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.858 2.063 . . . . 0.0 109.847 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.867 176.727 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m 60.55 96.68 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.263 2.225 . . . . 0.0 114.329 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.15 85.25 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -171.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.72 117.23 5.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.32 -161.69 0.95 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.606 1.563 . . . . 0.0 108.008 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -158.58 143.02 15.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.677 1.991 . . . . 0.0 106.243 165.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.97 131.95 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 123.285 0.634 . . . . 0.0 110.898 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.55 143.09 50.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.723 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? -133.72 -0.21 3.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.826 1.25 . . . . 0.0 113.88 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.95 12.49 0.4 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.473 2.309 . . . . 0.0 114.999 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -26.25 24.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -34.83 -27.67 0.01 OUTLIER Glycine 0 CA--C 1.542 1.722 0 C-N-CA 127.343 2.401 . . . . 0.0 116.121 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? 168.36 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 1 C-N-CA 131.706 4.003 . . . . 0.0 109.17 158.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.93 41.34 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.709 1.623 . . . . 0.0 113.494 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.49 70.33 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.01 0.905 . . . . 0.0 110.658 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.6 m -65.3 -16.13 63.25 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.507 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.78 -19.35 16.76 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 117.026 -1.464 . . . . 0.0 113.733 175.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -77.61 -34.39 53.4 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.874 1.67 . . . . 0.0 110.283 164.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.12 -57.96 5.8 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -31.09 67.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.972 172.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.72 61.72 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.94 17.57 7.28 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.682 1.193 . . . . 0.0 112.806 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.65 12.94 7.96 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.285 0.634 . . . . 0.0 112.529 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.78 173.62 7.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.659 1.583 . . . . 0.0 108.536 170.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.4 p90 -152.47 155.76 33.03 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 172.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -70.95 158.58 55.02 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.26 1.973 . . . . 0.0 113.089 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.91 8.01 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.258 1.023 . . . . 0.0 110.473 162.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -136.27 159.61 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 124.963 1.305 . . . . 0.0 109.805 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.46 91.35 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 112.139 -175.21 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.537 0.656 0 N-CA-C 112.283 0.071 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.43 105.87 2.3 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 122.722 0.409 . . . . 0.0 110.213 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.2 136.98 35.9 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.51 122.63 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.37 1.468 . . . . 0.0 109.101 -168.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.38 120.09 19.47 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 131.011 3.724 . . . . 0.0 108.685 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.18 166.34 24.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.822 0.82 . . . . 0.0 112.383 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 132.0 40.98 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.232 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -66.18 -47.64 73.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.099 0.874 . . . . 0.0 109.5 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.87 -34.54 78.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.073 0.851 . . . . 0.0 111.675 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -77.46 0.03 OUTLIER 'General case' 0 C--N 1.345 0.381 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.95 -26.09 23.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -167.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.4 -64.21 0.86 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.796 1.638 . . . . 0.0 108.694 170.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.79 -22.16 45.82 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.74 -70.96 0.51 Allowed 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.55 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -61.26 -7.46 2.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.26 -16.85 56.3 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.14 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 155.13 48.93 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.256 0.935 . . . . 0.0 112.976 -173.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.6 74.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.512 -167.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.8 -48.03 80.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 124.336 1.054 . . . . 0.0 108.178 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 2.9 t80 -50.81 -45.55 59.4 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.857 1.208 . . . . 0.0 111.325 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -36.14 73.76 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.797 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -86.28 -12.69 48.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.849 1.259 . . . . 0.0 112.633 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -131.54 122.96 27.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -165.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -46.67 142.18 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.307 1.043 . . . . 0.0 112.651 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 5.4 mt -116.94 161.36 19.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.415 1.486 . . . . 0.0 107.919 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 m -115.66 97.47 6.15 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.975 0.807 . . . . 0.0 109.197 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mm -76.06 105.09 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.14 84.62 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.72 97.41 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 126.243 1.817 . . . . 0.0 106.938 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 57.41 25.98 11.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.336 0.654 . . . . 0.0 112.419 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.0 -3.76 35.7 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.857 1.218 . . . . 0.0 114.559 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -103.37 126.11 50.35 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 119.234 1.517 . . . . 0.0 108.501 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.23 109.05 21.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.076 0.55 . . . . 0.0 110.87 -159.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.94 128.06 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -86.16 129.6 34.79 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.191 0.996 . . . . 0.0 111.016 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.492 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 19.1 m -153.06 160.94 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.582 1.953 . . . . 0.0 110.765 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.19 134.33 47.96 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 119.022 0.828 . . . . 0.0 109.129 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.62 132.86 55.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.388 0.675 . . . . 0.0 111.139 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -128.98 -24.13 2.96 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.101 0.876 . . . . 0.0 111.387 -170.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -161.16 103.15 1.27 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.83 133.8 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 163.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -107.5 102.85 12.08 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -68.39 162.3 25.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.095 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 158.68 85.76 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 122.664 0.385 . . . . 0.0 110.978 170.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.68 -24.57 4.14 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.569 2.846 . . . . 0.0 112.997 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -148.64 12.07 0.89 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -126.43 157.02 71.91 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 108.78 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -78.73 61.96 8.19 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.719 2.946 . . . . 0.0 109.123 166.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -133.78 -173.04 3.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.761 1.224 . . . . 0.0 109.255 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.2 mt -131.0 127.5 38.47 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 125.727 1.611 . . . . 0.0 108.638 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.03 -41.12 62.3 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.79 1.236 . . . . 0.0 110.006 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 177.41 159.7 0.42 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 125.851 1.66 . . . . 0.0 108.465 -165.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 89.4 mt -145.46 145.02 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.44 148.75 44.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 167.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.42 158.44 27.19 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.31 142.74 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 117.989 0.359 . . . . 0.0 110.087 175.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -52.63 93.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.248 0 C-N-CA 127.027 2.131 . . . . 0.0 111.153 -167.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.492 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 116.519 -1.705 . . . . 0.0 111.625 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m 59.63 97.48 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.501 2.721 . . . . 0.0 112.912 169.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.6 89.12 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -165.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.25 116.38 5.95 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -172.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.86 -161.18 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.458 1.503 . . . . 0.0 108.003 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.78 144.19 22.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 164.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.02 144.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.677 . . . . 0.0 110.401 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -139.81 156.1 46.92 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.289 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -137.84 -4.81 1.75 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 113.191 167.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -66.96 15.74 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.564 2.745 . . . . 0.0 114.996 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -44.28 22.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.371 -173.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -19.99 -64.37 0.01 OUTLIER Glycine 0 C--N 1.343 0.946 0 C-N-CA 128.163 2.792 . . . . 0.0 112.844 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -159.74 -17.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.401 158.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.19 -43.97 97.89 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 124.818 1.199 . . . . 0.0 112.492 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.45 79.81 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 173.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -62.73 -27.36 69.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.993 0.517 . . . . 0.0 111.927 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 -39.18 15.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 116.294 -1.812 . . . . 0.0 111.387 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -64.28 -33.94 76.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.635 2.016 . . . . 0.0 110.713 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.41 -65.98 0.61 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.605 1.162 . . . . 0.0 108.121 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -61.11 -26.91 68.0 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.877 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.86 -21.21 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.46 18.71 12.81 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.936 1.295 . . . . 0.0 112.031 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 65.0 11.55 7.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.549 0.739 . . . . 0.0 112.918 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mtmm -84.29 172.75 11.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 166.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -152.5 154.82 32.3 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -70.14 154.89 65.83 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.054 1.836 . . . . 0.0 113.342 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.75 -179.04 5.96 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.922 0.889 . . . . 0.0 110.743 162.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tp -138.25 157.16 31.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 124.746 1.218 . . . . 0.0 110.159 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.77 100.08 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -162.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 CA--C 1.542 0.912 0 CA-C-O 120.642 0.184 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.49 102.05 2.22 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.315 1.046 . . . . 0.0 110.06 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 139.41 47.07 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.52 140.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 6.2 tt0 -93.55 108.39 20.1 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 129.648 3.179 . . . . 0.0 107.293 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -130.48 164.73 24.18 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.586 0.707 . . . . 0.0 111.878 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.62 136.23 40.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.598 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.59 -50.76 23.21 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.485 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -22.91 61.36 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.718 0.69 . . . . 0.0 111.577 -170.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.78 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.09 1.756 . . . . 0.0 107.82 159.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.79 -26.57 24.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 tpt -50.13 -62.5 1.54 Allowed 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.132 1.773 . . . . 0.0 108.885 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -57.12 -21.24 30.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.353 0.979 . . . . 0.0 113.592 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -82.99 -68.72 0.68 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 118.468 -0.777 . . . . 0.0 108.907 -174.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -61.76 -6.96 2.98 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.517 1.053 . . . . 0.0 113.759 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.85 -3.55 22.95 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 125.477 1.511 . . . . 0.0 112.54 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.53 34.05 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.379 1.445 . . . . 0.0 110.166 163.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.23 60.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -57.03 -21.87 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.652 1.581 . . . . 0.0 111.636 171.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 54.8 t80 -69.53 -51.5 35.05 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 121.21 -0.931 . . . . 0.0 112.248 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.19 -30.15 31.06 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.685 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -83.49 -21.88 32.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.602 1.161 . . . . 0.0 111.754 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.44 127.66 33.82 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -174.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.9 p -52.35 145.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.426 1.491 . . . . 0.0 112.243 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 9.2 mt -113.26 164.11 13.96 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.955 1.702 . . . . 0.0 107.919 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -118.34 98.22 6.17 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.179 0.445 . . . . 0.0 110.822 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.17 105.98 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.4 t -84.17 82.05 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 m -73.06 98.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 125.149 1.38 . . . . 0.0 108.359 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.01 26.37 9.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.142 0.977 . . . . 0.0 112.52 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.31 -5.35 30.04 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.987 1.28 . . . . 0.0 114.538 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.07 117.06 33.74 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 119.366 1.583 . . . . 0.0 108.386 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -82.5 117.86 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.839 1.256 . . . . 0.0 113.025 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -118.35 128.85 75.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -86.65 124.4 32.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 123.223 0.609 . . . . 0.0 110.604 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.76 162.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 C-N-CA 125.008 1.323 . . . . 0.0 112.454 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 139.54 23.24 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.568 0.747 . . . . 0.0 109.098 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.61 155.61 7.25 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -166.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -131.94 -43.81 0.97 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.761 0.824 . . . . 0.0 111.776 167.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.12 88.94 1.83 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 -173.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.8 m -82.9 135.39 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 158.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.23 114.51 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 -177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -78.31 159.8 28.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.103 0.561 . . . . 0.0 109.58 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.17 160.5 64.01 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 123.339 0.656 . . . . 0.0 110.653 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.01 -18.49 11.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.836 2.357 . . . . 0.0 113.321 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -144.92 -39.68 0.26 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 119.098 0.863 . . . . 0.0 112.22 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -75.48 156.42 85.2 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.236 1.014 . . . . 0.0 109.936 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -80.11 66.15 8.83 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.717 2.944 . . . . 0.0 109.872 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -137.27 -169.29 2.47 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.052 1.341 . . . . 0.0 109.97 -174.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 mt -129.76 142.51 50.68 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.528 1.931 . . . . 0.0 108.206 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.53 -34.0 12.84 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.37 1.068 . . . . 0.0 110.841 172.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -175.2 157.03 2.18 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.971 1.309 . . . . 0.0 109.45 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 92.1 mt -144.43 148.79 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -124.47 160.31 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.714 164.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.44 145.91 52.01 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -94.27 147.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 174.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -57.26 96.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.828 2.051 . . . . 0.0 110.311 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.341 168.472 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.746 -0.168 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m 57.82 103.54 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.737 2.415 . . . . 0.0 114.209 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.22 85.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 123.91 0.884 . . . . 0.0 109.126 -170.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.535 HD21 ' HB ' ' A' ' 64' ' ' VAL . 3.1 m120 -59.64 120.23 9.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.738 0.815 . . . . 0.0 109.522 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.15 -161.66 1.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.058 1.343 . . . . 0.0 108.597 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -155.23 143.72 20.42 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.816 2.046 . . . . 0.0 105.699 165.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -64.59 142.42 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.875 -0.516 . . . . 0.0 110.75 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.46 155.39 50.07 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.927 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -134.91 -1.97 2.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.351 1.46 . . . . 0.0 112.904 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.72 14.13 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.478 2.311 . . . . 0.0 114.49 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -39.47 19.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -166.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.8 3.84 0.01 OUTLIER Glycine 0 CA--C 1.54 1.606 0 C-N-CA 128.723 3.059 . . . . 0.0 119.696 -166.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 139.71 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.559 1 C-N-CA 136.445 5.898 . . . . 0.0 108.405 172.27 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.98 -53.09 10.87 Favored Glycine 0 C--N 1.344 0.991 0 C-N-CA 125.831 1.682 . . . . 0.0 112.392 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.69 -52.33 52.33 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.43 1.092 . . . . 0.0 111.066 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -59.3 -21.89 60.38 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.122 0.569 . . . . 0.0 112.257 -166.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -34.07 13.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.519 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.95 -35.28 79.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 122.205 2.275 . . . . 0.0 110.431 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -56.59 16.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.101 0.961 . . . . 0.0 108.588 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -56.78 -28.07 60.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 113.033 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 -12.13 59.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.56 -86.97 0.4 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 165.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.83 9.46 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.391 1.877 . . . . 0.0 111.715 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -91.68 176.07 6.67 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.867 1.667 . . . . 0.0 108.666 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -159.64 153.34 19.2 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.55 158.83 36.01 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.228 1.285 . . . . 0.0 112.703 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.61 177.98 7.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.387 1.075 . . . . 0.0 110.071 165.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.1 tp -132.87 148.45 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.163 1.385 . . . . 0.0 109.948 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.6 mt -116.74 80.21 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.888 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.03 -172.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 117.82 2.2 . . . . 0.0 117.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.52 104.83 2.4 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.856 1.662 . . . . 0.0 108.959 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.48 139.13 45.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.77 141.14 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 125.576 1.55 . . . . 0.0 107.449 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -92.2 115.59 28.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.241 2.616 . . . . 0.0 108.862 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.44 167.46 20.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.411 0.624 . . . . 0.0 112.296 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 130.73 38.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.378 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -64.46 -51.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.946 0.779 . . . . 0.0 110.476 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.21 -34.96 75.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.149 0.431 . . . . 0.0 111.582 -172.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -62.42 -75.28 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.86 -26.24 20.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 tpp -51.43 -63.02 1.27 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.11 1.364 . . . . 0.0 109.557 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.51 -16.75 40.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.3 -67.51 0.78 Allowed 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.0 -8.51 3.27 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.633 1.106 . . . . 0.0 113.661 176.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.34 -7.99 22.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-O 117.18 -1.391 . . . . 0.0 111.077 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 158.69 38.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 110.837 170.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.56 61.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.32 -19.55 35.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.525 1.93 . . . . 0.0 111.57 173.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 57.1 t80 -70.89 -51.73 24.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 120.989 -1.069 . . . . 0.0 111.882 176.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -80.24 -29.34 38.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.319 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -78.18 -37.43 45.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 110.814 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.6 126.88 47.42 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -168.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.559 1.544 . . . . 0.0 113.447 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.2 mt -114.91 155.53 26.7 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.45 1.5 . . . . 0.0 108.527 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -112.69 97.45 6.58 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.141 0.882 . . . . 0.0 109.997 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mm -74.18 111.5 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 120.939 -1.101 . . . . 0.0 108.918 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.535 ' HB ' HD21 ' A' ' 5' ' ' ASN . 41.3 t -93.26 84.84 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.09 97.64 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.627 1.571 . . . . 0.0 107.492 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.99 29.15 15.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.069 0.548 . . . . 0.0 111.968 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.96 -4.13 45.39 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.468 -1.185 . . . . 0.0 114.271 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 125.23 48.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 119.321 1.56 . . . . 0.0 109.26 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.6 109.28 21.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.193 0.997 . . . . 0.0 110.96 -161.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.95 126.85 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -168.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -85.97 124.52 32.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.053 0.541 . . . . 0.0 109.901 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -150.33 159.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 O-C-N 124.323 1.014 . . . . 0.0 113.201 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -131.47 132.31 44.17 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.668 0.787 . . . . 0.0 109.616 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.49 133.14 48.95 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 124.193 0.933 . . . . 0.0 110.835 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -132.02 -18.61 2.63 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.132 0.973 . . . . 0.0 112.424 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.62 94.39 1.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -88.64 135.71 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 161.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.44 172.89 8.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.052 1.741 . . . . 0.0 107.548 170.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 164.97 31.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.073 0.949 . . . . 0.0 109.773 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.7 164.28 32.44 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.108 159.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -87.78 -16.07 3.07 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.628 2.885 . . . . 0.0 113.657 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -134.61 -6.77 2.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.971 1.309 . . . . 0.0 112.648 -170.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -144.99 166.75 16.79 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 128.431 2.692 . . . . 0.0 106.03 166.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.26 10.72 2.61 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 CA-C-N 120.923 1.365 . . . . 0.0 112.825 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -53.53 99.57 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 C-N-CA 127.544 2.337 . . . . 0.0 112.085 -168.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.73 108.96 1.27 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 127.071 2.148 . . . . 0.0 108.281 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -75.66 -24.99 56.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.741 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -174.66 157.47 2.55 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.169 0.988 . . . . 0.0 110.888 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -146.46 150.29 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.35 1.46 . . . . 0.0 108.107 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.04 126.56 36.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.897 1.679 . . . . 0.0 107.539 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.55 132.06 53.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.389 1.076 . . . . 0.0 108.82 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.58 157.21 3.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.989 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -67.96 90.14 0.3 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.951 0.901 . . . . 0.0 109.812 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.63 -0.7 . . . . 0.0 112.187 173.382 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 N--CA 1.465 0.285 0 CA-C-O 119.666 -0.207 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 63.26 98.5 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.235 2.214 . . . . 0.0 114.154 168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.56 84.16 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -167.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.11 109.27 0.72 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.54 -161.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 107.41 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.54 138.27 11.96 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.45 132.62 28.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.614 -0.679 . . . . 0.0 110.607 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.72 150.1 52.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.043 179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.7 mmpt? -137.09 -3.54 1.98 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.372 1.869 . . . . 0.0 113.186 173.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.45 14.07 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.723 2.409 . . . . 0.0 115.039 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -53.55 8.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.898 1.279 . . . . 0.0 114.099 -164.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -5.21 -71.41 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 C-N-CA 130.146 3.736 . . . . 0.0 114.38 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -163.87 -11.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.019 0.928 . . . . 0.0 110.517 158.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -29.99 75.71 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 125.025 1.297 . . . . 0.0 113.061 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.24 -45.83 53.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.68 -0.894 . . . . 0.0 110.746 167.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -60.28 -22.28 62.93 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -40.08 14.6 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 127.523 2.329 . . . . 0.0 112.09 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -34.79 76.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 122.015 2.189 . . . . 0.0 111.047 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -54.31 10.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.27 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.25 -28.56 66.82 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.804 0.729 . . . . 0.0 112.302 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.95 -15.4 61.12 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.01 17.22 10.88 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.94 1.296 . . . . 0.0 112.326 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 64.43 13.35 8.05 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.7 mtmm -91.95 175.83 6.73 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.806 1.642 . . . . 0.0 107.463 171.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.49 152.81 17.18 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -71.95 155.58 57.37 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.814 1.676 . . . . 0.0 112.874 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.16 178.48 7.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.676 1.191 . . . . 0.0 110.442 163.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -136.91 159.48 36.98 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 C-N-CA 124.538 1.135 . . . . 0.0 109.822 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.71 94.26 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -165.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.836 0 N-CA-C 111.553 -0.21 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -160.2 105.65 1.52 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.491 1.116 . . . . 0.0 109.753 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.39 137.24 37.91 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.745 -0.597 . . . . 0.0 109.408 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.86 123.94 11.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.753 1.621 . . . . 0.0 108.045 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 11.6 tt0 -79.89 113.0 17.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 129.563 3.145 . . . . 0.0 108.76 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.05 166.67 17.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.463 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.33 138.2 40.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.855 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.44 -52.09 13.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.915 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -23.08 62.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.736 0.698 . . . . 0.0 111.274 -171.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -56.91 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.194 1.798 . . . . 0.0 107.657 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.6 -26.11 26.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 119.937 1.244 . . . . 0.0 114.011 -170.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -58.58 6.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.31 1.444 . . . . 0.0 108.735 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.21 -23.01 63.69 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmt -81.62 -67.25 0.8 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.454 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.04 -17.93 3.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.179 2.192 . . . . 0.0 112.803 174.084 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.95 -3.85 14.43 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 125.675 1.59 . . . . 0.0 112.574 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.7 38.69 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 119.983 1.265 . . . . 0.0 109.865 164.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 -21.97 59.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.239 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.81 -19.06 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 111.779 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 64.2 t80 -69.98 -54.98 10.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.053 -1.029 . . . . 0.0 111.791 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -77.24 -32.9 56.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.687 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -73.24 -40.17 64.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.619 1.168 . . . . 0.0 110.526 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.49 119.25 28.6 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.69 145.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 126.281 1.832 . . . . 0.0 112.858 -167.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 44.8 mt -107.53 154.67 21.05 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.844 1.658 . . . . 0.0 108.19 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.8 m -111.84 88.07 2.71 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.14 110.59 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 O-C-N 120.798 -1.189 . . . . 0.0 110.359 173.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.03 86.49 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 125.55 1.54 . . . . 0.0 107.438 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 m -75.75 95.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.489 1.915 . . . . 0.0 107.76 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 57.25 26.21 12.01 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.844 0.857 . . . . 0.0 112.423 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.01 -6.69 30.9 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.982 1.277 . . . . 0.0 114.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -99.29 124.71 44.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 119.122 1.461 . . . . 0.0 108.569 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -98.69 110.29 22.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.033 0.533 . . . . 0.0 111.005 -161.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.11 127.26 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.408 0.683 . . . . 0.0 109.185 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -85.61 123.34 30.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.194 0.998 . . . . 0.0 110.672 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -152.24 159.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 125.036 1.334 . . . . 0.0 113.299 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -132.29 136.75 47.13 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.383 1.073 . . . . 0.0 110.74 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.02 57.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.831 0.707 . . . . 0.0 112.415 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.19 -32.22 3.0 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.961 0.788 . . . . 0.0 112.565 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 96.24 2.49 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 126.389 1.876 . . . . 0.0 106.561 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -82.93 145.66 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 158.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -124.31 115.61 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.488 1.915 . . . . 0.0 105.939 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -74.77 165.07 25.83 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.021 0.529 . . . . 0.0 110.538 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 160.27 69.66 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.339 0.656 . . . . 0.0 110.761 169.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -81.5 -7.04 12.74 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.19 2.593 . . . . 0.0 113.67 -172.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -146.73 -57.79 0.28 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.606 1.093 . . . . 0.0 111.825 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -77.0 158.21 80.46 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.051 1.74 . . . . 0.0 109.524 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.5 18.54 0.69 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.783 2.989 . . . . 0.0 114.552 -170.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -77.56 -164.07 0.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.057 1.743 . . . . 0.0 111.178 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -128.79 139.15 52.32 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.984 2.114 . . . . 0.0 108.06 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -36.98 16.6 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.276 1.03 . . . . 0.0 110.632 170.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -173.15 156.74 3.28 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.452 1.101 . . . . 0.0 109.319 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.3 mt -145.78 149.03 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -119.94 161.33 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.602 164.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.58 157.27 43.16 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 165.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.49 150.96 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -58.45 91.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.792 2.037 . . . . 0.0 110.753 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.043 0.937 . . . . 0.0 111.438 169.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 CA-C-O 123.008 1.385 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.1 m -81.3 129.39 34.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 128.059 2.543 . . . . 0.0 108.578 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.85 77.91 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -170.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.549 HD21 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -56.88 109.61 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.693 1.197 . . . . 0.0 108.648 -175.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.34 -162.34 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.12 1.368 . . . . 0.0 107.398 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -151.56 147.09 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 104.389 -2.448 . . . . 0.0 104.389 164.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.86 144.22 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.433 0.635 . . . . 0.0 110.467 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -136.28 153.97 51.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.933 174.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -135.97 1.83 2.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 112.256 166.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 10.36 0.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.813 2.445 . . . . 0.0 114.798 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.59 -56.53 5.05 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.72 1.608 . . . . 0.0 113.939 -159.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -16.2 -66.1 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.285 3.326 . . . . 0.0 114.351 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -11.06 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.816 158.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.34 69.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.558 1.075 . . . . 0.0 112.966 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 -56.6 4.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.857 0.863 . . . . 0.0 111.238 175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.5 m -63.84 -17.31 63.01 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.322 -0.861 . . . . 0.0 112.433 -170.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -76.53 -52.73 9.2 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.253 167.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -65.94 -41.06 91.8 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.06 1.755 . . . . 0.0 109.671 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -61.6 2.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.854 1.261 . . . . 0.0 111.335 176.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -24.16 67.65 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.217 0.917 . . . . 0.0 112.091 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 -16.16 61.45 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.6 18.67 8.06 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 125.546 1.538 . . . . 0.0 112.478 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.01 9.34 6.1 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -85.61 176.49 8.16 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 108.392 167.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -158.4 152.9 20.46 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -71.91 156.43 56.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 113.047 -175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.75 -178.73 5.55 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.715 1.206 . . . . 0.0 110.581 162.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.7 tp -136.94 157.36 35.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 C-N-CA 124.574 1.15 . . . . 0.0 110.114 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -125.2 86.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 p90 . . . . . 0 N--CA 1.453 -0.306 0 C-N-CA 122.975 0.51 . . . . 0.0 112.323 177.738 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 CA-C-O 120.543 0.143 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tp -148.81 101.77 3.22 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.005 0.522 . . . . 0.0 110.016 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 135.33 46.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.78 138.72 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -85.56 115.96 23.58 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.071 2.149 . . . . 0.0 109.389 169.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -130.91 166.44 20.91 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.333 0.653 . . . . 0.0 111.201 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 131.44 40.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.506 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -66.71 -48.8 68.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.713 0.633 . . . . 0.0 109.616 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.38 -31.1 70.23 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.52 0.6 . . . . 0.0 111.181 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -58.85 -76.76 0.04 OUTLIER 'General case' 0 C--N 1.348 0.527 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 165.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.65 -26.72 24.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -166.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -60.24 3.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.799 1.639 . . . . 0.0 108.794 171.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.09 -22.87 63.3 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.2 mmm -83.01 -66.16 0.92 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.41 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.67 -18.08 4.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.11 2.164 . . . . 0.0 112.687 173.332 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.86 -2.85 13.44 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.468 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.65 158.11 37.2 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.799 1.636 . . . . 0.0 110.296 163.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.67 62.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.381 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.04 -18.16 32.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.221 1.408 . . . . 0.0 112.029 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 73.1 t80 -74.23 -53.37 9.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 120.98 -1.075 . . . . 0.0 112.05 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -78.64 -27.09 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.044 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -77.27 -48.9 16.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.917 1.287 . . . . 0.0 110.373 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.22 126.86 54.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -165.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.29 143.18 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.135 1.374 . . . . 0.0 112.436 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 24.9 mt -105.72 147.98 27.95 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 125.459 1.504 . . . . 0.0 108.088 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 m -106.98 100.56 10.05 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.35 108.15 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.731 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.549 ' HB ' HD21 ' A' ' 5' ' ' ASN . 45.3 t -93.27 83.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.77 94.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.558 1.543 . . . . 0.0 108.185 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 56.16 26.09 9.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.11 0.964 . . . . 0.0 112.443 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.31 25.76 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.853 1.216 . . . . 0.0 114.531 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -97.2 123.29 40.93 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.286 1.543 . . . . 0.0 108.544 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -96.93 111.71 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.442 0.697 . . . . 0.0 111.17 -164.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.69 124.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -170.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.02 125.51 33.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 111.045 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 m -152.72 159.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 C-N-CA 124.656 1.182 . . . . 0.0 112.761 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -132.0 135.9 46.89 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.139 0.976 . . . . 0.0 109.642 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 136.04 54.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.939 0.775 . . . . 0.0 111.523 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -118.66 -40.53 2.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.317 1.047 . . . . 0.0 110.863 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -151.8 98.55 2.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.88 145.55 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 161.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -119.03 111.28 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -78.99 164.04 24.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 110.243 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 160.78 77.78 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 123.001 0.52 . . . . 0.0 111.546 169.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -84.65 -11.1 8.21 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.441 2.76 . . . . 0.0 113.99 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -137.9 -56.25 0.67 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 120.258 1.39 . . . . 0.0 110.966 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -81.8 162.63 57.02 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.373 1.469 . . . . 0.0 109.966 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.38 19.48 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.645 2.897 . . . . 0.0 113.814 -172.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -75.13 -169.98 1.05 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.496 1.518 . . . . 0.0 111.061 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.94 148.25 45.69 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.522 1.929 . . . . 0.0 108.07 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -101.81 -31.86 10.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.926 1.29 . . . . 0.0 110.995 170.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -175.73 158.99 2.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.157 1.383 . . . . 0.0 109.058 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.6 mt -145.23 150.39 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -123.27 156.28 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.712 0.805 . . . . 0.0 108.845 167.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.53 150.57 52.14 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.521 1.529 . . . . 0.0 107.198 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 m -102.54 148.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -57.1 95.22 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.433 1.493 . . . . 0.0 110.262 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.799 170.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.95 -68.31 0.33 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.865 1.266 . . . . 0.0 110.02 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 m 54.27 103.29 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.138 2.575 . . . . 0.0 114.586 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.73 86.02 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -169.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.99 119.43 8.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.29 -162.2 1.05 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.439 1.496 . . . . 0.0 108.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -156.33 140.6 16.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.488 2.315 . . . . 0.0 105.27 168.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.48 142.17 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.483 -0.761 . . . . 0.0 111.414 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 HH21 ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -145.13 151.94 39.26 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -133.5 -3.31 3.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.285 1.834 . . . . 0.0 113.638 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.94 13.63 0.37 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.799 2.04 . . . . 0.0 114.797 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -32.73 9.52 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -172.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.38 -5.37 0.07 OUTLIER Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.097 2.284 . . . . 0.0 118.112 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 144.16 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 133.986 4.914 . . . . 0.0 110.941 166.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.96 74.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.257 0.932 . . . . 0.0 112.539 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -68.51 -47.76 66.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.203 1.001 . . . . 0.0 110.063 173.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -24.6 65.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.831 -0.543 . . . . 0.0 111.551 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -23.68 17.96 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 116.35 -1.786 . . . . 0.0 113.899 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.99 -41.32 17.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 121.416 1.916 . . . . 0.0 109.743 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.17 -56.16 21.52 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.721 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -27.61 67.23 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 118.894 0.77 . . . . 0.0 112.262 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.61 63.06 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.23 16.27 7.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.294 1.038 . . . . 0.0 113.14 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.34 14.68 8.07 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -83.52 176.5 9.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 162.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -164.4 129.88 2.08 Favored Pre-proline 0 N--CA 1.447 -0.614 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -159.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -70.57 156.9 60.3 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.675 1.584 . . . . 0.0 113.042 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.39 -178.79 6.15 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.182 1.393 . . . . 0.0 111.078 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.6 tp -139.75 161.26 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.208 1.403 . . . . 0.0 110.274 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.5 mt -131.74 92.56 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.806 2.042 . . . . 0.0 105.586 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -115.79 -177.37 3.14 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.69 43.21 36.68 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.54 -103.5 0.53 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 178.13 -28.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.308 2.243 . . . . 0.0 110.323 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.15 -71.42 0.6 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.55 163.92 19.02 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 122.986 0.514 . . . . 0.0 112.348 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -66.09 -168.88 0.14 Allowed 'Trans proline' 0 CA--C 1.535 0.538 1 C-N-CA 126.293 4.662 . . . . 0.0 116.282 173.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.9 107.6 2.98 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.348 1.059 . . . . 0.0 110.557 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.24 138.46 41.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.428 0.291 . . . . 0.0 110.544 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.27 132.91 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 126.335 1.854 . . . . 0.0 107.76 -175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.64 121.78 27.71 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 128.145 2.578 . . . . 0.0 108.568 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -137.44 170.39 16.16 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.741 0.782 . . . . 0.0 111.267 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -74.67 130.3 39.28 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.235 1.414 . . . . 0.0 109.724 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.9 -50.84 63.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.346 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.76 -28.61 67.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.516 0.598 . . . . 0.0 111.714 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 50' ' ' MET . 21.9 ttmm -59.43 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.147 162.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.34 -27.72 17.49 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 119.68 1.127 . . . . 0.0 113.884 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 tpt -47.01 -65.1 0.62 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 126.191 1.796 . . . . 0.0 110.178 165.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -55.02 -23.1 17.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.851 1.205 . . . . 0.0 114.127 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.1 mmm -84.99 -65.27 1.03 Allowed 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -170.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.576 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.4 pp0? -61.52 -7.8 3.58 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 120.194 1.361 . . . . 0.0 114.113 173.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -2.43 24.81 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 125.657 1.583 . . . . 0.0 112.503 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 157.9 31.98 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.944 1.247 . . . . 0.0 109.615 160.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -25.26 59.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -52.9 -25.64 12.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.73 2.012 . . . . 0.0 111.578 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 34.7 t80 -74.65 -39.91 61.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.262 -0.899 . . . . 0.0 113.358 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -91.34 -28.43 17.74 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.578 0.549 . . . . 0.0 112.057 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 t -83.05 -23.39 33.21 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.791 1.236 . . . . 0.0 110.77 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.74 162.29 27.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -74.06 150.75 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.691 0.796 . . . . 0.0 112.365 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 56' ' ' PHE . 12.3 mt -117.36 158.21 24.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.56 2.344 . . . . 0.0 108.256 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.4 m -113.51 98.99 7.41 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.696 0.68 . . . . 0.0 109.24 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mm -75.59 110.04 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 O-C-N 121.037 -1.039 . . . . 0.0 109.148 176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.65 84.72 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.9 m -76.35 97.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 125.35 1.46 . . . . 0.0 107.648 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.03 29.95 15.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.206 0.602 . . . . 0.0 111.836 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.41 -2.76 46.53 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.473 -1.182 . . . . 0.0 114.607 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.8 127.22 48.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.395 1.597 . . . . 0.0 109.167 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.84 109.62 21.26 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.419 0.688 . . . . 0.0 110.831 -159.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -114.79 125.85 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -168.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -87.51 124.79 33.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.377 0.671 . . . . 0.0 110.509 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 32.7 m -152.34 159.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 C-N-CA 125.621 1.568 . . . . 0.0 111.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 134.99 48.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 123.645 0.778 . . . . 0.0 109.024 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -66.47 141.01 58.05 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.555 0.534 . . . . 0.0 111.835 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -135.6 -26.28 1.24 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.962 0.789 . . . . 0.0 111.89 -166.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.65 97.48 2.12 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 127.438 2.295 . . . . 0.0 105.234 171.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.6 m -91.26 139.95 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 160.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -115.97 117.92 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.204 1.802 . . . . 0.0 106.379 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -78.92 162.71 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.947 0.499 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 158.62 71.12 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 123.098 0.559 . . . . 0.0 110.001 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.75 -20.22 10.67 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.657 2.904 . . . . 0.0 113.199 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.16 -35.33 0.32 Allowed 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.774 0.716 . . . . 0.0 111.949 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.01 153.94 84.72 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.301 1.04 . . . . 0.0 109.834 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.33 58.26 6.91 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 124.17 3.247 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -133.91 -168.1 2.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.925 1.29 . . . . 0.0 109.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 15.1 mt -124.86 151.99 44.56 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.725 1.61 . . . . 0.0 109.315 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.93 -34.94 10.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.412 1.485 . . . . 0.0 110.853 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -179.65 158.19 0.79 Allowed 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.329 1.452 . . . . 0.0 109.553 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 95.4 mt -141.9 146.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -121.21 165.51 15.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.992 165.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.72 157.73 45.94 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.5 m -118.15 145.85 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 118.016 0.371 . . . . 0.0 110.562 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -53.94 92.4 0.01 OUTLIER 'General case' 0 C--N 1.341 0.238 0 C-N-CA 127.208 2.203 . . . . 0.0 111.77 -169.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.582 170.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C2'-C3'-O3' 118.592 2.711 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 P-O3'-C3' 125.625 4.938 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C1'-N19 110.975 2.775 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 1 O4'-C1'-N19 112.67 4.47 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 1 O4'-C1'-N19 114.491 6.291 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C5'-C4'-O4' 113.412 3.008 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 1 O4'-C1'-N19 113.032 4.832 . 0.109 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 1 O4'-C1'-N19 113.098 4.898 . 0.485 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 C4'-C3'-C2' 97.781 -4.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 N19-C1'-C2' 106.608 -4.245 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 2 O4'-C1'-N19 113.032 4.832 . 0.096 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 O4'-C1'-N19 111.357 3.157 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 111.194 2.994 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 1 O4'-C1'-N19 114.518 6.318 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C5'-C4'-C3' 110.246 -3.503 OUTLIER-DELTA 0.037 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 O4'-C1'-N19 112.482 4.282 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 1 O4'-C1'-N19 112.97 4.77 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 O4'-C1'-N19 112.565 4.365 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.691 0 C3'-C2'-C1' 104.725 3.583 . 0.01 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.623 1 P-O3'-C3' 126.93 6.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.964 0 O4'-C1'-N19 112.156 3.956 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 113.221 5.021 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 O4'-C1'-N19 112.142 3.942 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 113.772 5.572 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 110.155 -3.563 OUTLIER-DELTA 0.093 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 1 O4'-C1'-N19 113.479 5.279 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-O4' 113.632 3.166 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 1 O4'-C1'-N19 112.279 4.079 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 O4'-C1'-N19 111.562 3.362 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.786 3.586 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 1 O4'-C1'-N19 112.524 4.324 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 O4'-C1'-N19 112.287 4.087 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 112.252 4.052 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . 0.531 HO2' " H5'" ' B' ' 306' ' ' ' G' . . . . . . . . 0 P--O5' 1.622 2.94 1 O4'-C1'-N19 113.086 4.886 . 0.234 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . 0.531 " H5'" HO2' ' B' ' 305' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 110.844 2.644 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.417 3.217 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.985 0 O4'-C1'-N19 111.037 2.837 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -58.15 -66.35 0.5 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.104 1.361 . . . . 0.0 110.408 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 m 55.22 100.01 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.122 2.569 . . . . 0.0 115.072 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.63 85.27 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -166.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.58 92.1 0.09 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.136 0.974 . . . . 0.0 111.073 -168.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.56 -161.22 0.84 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.25 147.36 27.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 165.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.86 141.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 121.67 -0.644 . . . . 0.0 110.485 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -134.01 157.42 46.14 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.621 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -136.89 -0.58 2.29 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.939 1.696 . . . . 0.0 113.172 167.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -66.96 10.42 0.14 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.34 2.256 . . . . 0.0 115.739 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -30.05 22.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.56 -12.97 0.42 Allowed Glycine 0 CA--C 1.544 1.894 0 C-N-CA 126.457 1.979 . . . . 0.0 116.679 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' H42' ' B' ' 297' ' ' ' C' . 5.8 mmtp 157.01 -28.97 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 1 C-N-CA 132.341 4.256 . . . . 0.0 111.477 158.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.94 -31.93 58.93 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.257 0.932 . . . . 0.0 112.764 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.05 9.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.459 1.104 . . . . 0.0 110.061 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 m -62.31 -19.83 63.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.711 -0.618 . . . . 0.0 112.512 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.61 -34.44 13.31 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 116.925 -1.512 . . . . 0.0 113.021 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.63 -40.82 63.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.333 1.879 . . . . 0.0 110.224 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -53.97 40.75 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.031 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -60.12 -27.65 67.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.016 0.825 . . . . 0.0 111.906 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.81 -11.53 60.41 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.27 17.96 7.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.24 1.416 . . . . 0.0 112.75 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 65.52 10.33 6.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.587 0.755 . . . . 0.0 112.913 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -86.64 176.68 7.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.301 1.44 . . . . 0.0 108.502 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.2 p90 -159.82 152.97 18.34 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.55 158.28 47.81 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.698 1.599 . . . . 0.0 113.358 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.33 179.28 6.55 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.364 1.066 . . . . 0.0 111.022 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.1 tp -136.69 158.0 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.606 1.162 . . . . 0.0 110.025 169.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -128.86 104.95 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -119.36 -168.8 1.64 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.793 0.837 . . . . 0.0 111.464 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.33 -1.76 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-O 118.36 -1.244 . . . . 0.0 115.551 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.06 28.15 24.57 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.908 1.242 . . . . 0.0 115.055 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -126.08 -35.99 2.39 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 127.933 2.493 . . . . 0.0 114.047 -175.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.48 -4.52 5.38 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.374 1.069 . . . . 0.0 113.77 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.87 130.31 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 127.741 2.416 . . . . 0.0 112.075 -159.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.457 ' CG ' " H1'" ' B' ' 274' ' ' ' U' . 11.4 Cg_exo -54.02 179.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 1 C-N-CA 126.74 4.96 . . . . 0.0 120.116 -169.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -151.0 97.56 2.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.45 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 135.61 48.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.25 132.5 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.7 124.8 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.936 1.694 . . . . 0.0 108.788 169.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.53 165.19 28.13 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 121.298 0.571 . . . . 0.0 111.071 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.89 138.71 39.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.25 -50.49 22.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.385 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -26.12 66.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.01 0.823 . . . . 0.0 111.346 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.26 -80.06 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.752 1.621 . . . . 0.0 108.563 166.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 1.9 p -51.37 -27.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -60.93 2.59 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 108.686 171.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.11 -25.27 58.51 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -80.14 -67.29 0.78 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 118.947 0.794 . . . . 0.0 108.868 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.88 -17.44 3.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.109 2.163 . . . . 0.0 112.791 174.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.26 -5.42 22.84 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 125.499 1.52 . . . . 0.0 112.685 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.79 157.46 37.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.404 1.456 . . . . 0.0 110.368 165.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.82 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.438 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -22.89 41.11 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.192 1.397 . . . . 0.0 111.844 171.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 58.1 t80 -76.02 -45.14 36.04 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.343 -0.848 . . . . 0.0 112.894 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -86.74 -29.55 22.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.66 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -86.64 -18.55 31.07 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.846 0.859 . . . . 0.0 111.371 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 145.33 51.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.44 152.12 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.766 0.826 . . . . 0.0 112.413 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 35.7 mt -116.76 155.17 29.38 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.977 1.711 . . . . 0.0 107.638 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 m -110.01 89.04 2.9 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.49 112.86 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 170.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.9 t -93.43 85.55 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.64 96.87 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.445 1.498 . . . . 0.0 108.765 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.64 25.52 8.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.455 1.102 . . . . 0.0 112.605 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.49 -4.55 29.59 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.944 1.259 . . . . 0.0 114.491 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -100.63 126.32 47.11 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 119.318 1.559 . . . . 0.0 108.405 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -102.8 108.49 19.74 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.725 0.41 . . . . 0.0 110.526 -159.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.18 125.46 71.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -168.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -87.56 119.27 27.68 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.783 0.833 . . . . 0.0 110.516 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.5 m -148.86 159.52 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -129.03 133.21 47.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.97 1.308 . . . . 0.0 109.54 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.7 142.9 57.25 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.617 0.573 . . . . 0.0 112.409 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -129.56 -38.44 1.53 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.958 0.903 . . . . 0.0 111.759 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.51 90.44 1.94 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.943 2.097 . . . . 0.0 105.908 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.7 m -81.06 139.77 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 158.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -116.6 112.44 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -74.78 163.37 27.75 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.928 0.491 . . . . 0.0 109.863 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 159.32 70.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.096 0.558 . . . . 0.0 110.55 168.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.53 -9.27 13.59 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.538 2.825 . . . . 0.0 113.662 -171.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -148.02 -56.21 0.22 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.546 1.066 . . . . 0.0 112.259 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -78.87 154.41 77.99 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.854 1.662 . . . . 0.0 110.201 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.76 76.84 3.91 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.738 2.959 . . . . 0.0 110.982 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -137.4 -168.55 2.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.573 1.549 . . . . 0.0 109.433 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -127.65 153.54 46.34 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.975 2.11 . . . . 0.0 108.399 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.724 1.61 . . . . 0.0 110.448 175.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' CD2' " H4'" ' B' ' 276' ' ' ' G' . 31.1 t-80 -175.79 157.7 2.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 125.575 1.55 . . . . 0.0 108.702 -175.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 82.6 mt -144.71 150.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.29 166.14 17.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.396 166.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -139.06 155.84 47.63 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.98 1.312 . . . . 0.0 107.939 170.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.1 149.76 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -57.81 93.54 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.691 1.596 . . . . 0.0 111.967 -175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.103 -1.903 . . . . 0.0 112.307 167.511 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 1 O4'-C1'-N19 112.621 4.421 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 110.285 2.085 . 0.081 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.869 4.669 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 1 O4'-C1'-N19 114.341 6.141 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 C5'-C4'-O4' 112.481 2.344 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-C3' 111.735 -2.51 . 0.862 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.457 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.594 1 O4'-C1'-N19 112.766 4.566 . 0.331 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 C4'-C3'-C2' 97.441 -5.259 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.407 " H4'" ' CD2' ' A' ' 88' ' ' HIS . . . . . . . . 0 O4'--C4' 1.41 -3.602 0 N19-C1'-C2' 108.243 -3.223 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 2 P-O3'-C3' 125.336 4.697 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 O4'-C1'-N19 111.865 3.665 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.356 3.156 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 114.082 5.882 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 C5'-C4'-C3' 111.029 -2.98 . 0.011 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 1 O4'-C1'-N19 112.857 4.657 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 O4'-C1'-N19 113.893 5.693 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.517 " C2'" ' H42' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 104.225 3.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 O4'-C1'-N19 112.654 4.454 . 0.137 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . 0.517 ' H42' " C2'" ' B' ' 284' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.069 0 C4'-C3'-O3' 116.627 2.318 OUTLIER-EPSILON 0.375 2[ . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 2 P-O3'-C3' 125.679 4.983 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 112.112 3.912 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.507 3.307 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 2 O4'-C1'-N19 114.108 5.908 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.263 -2.825 . 0.155 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.506 ' H42' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.831 1 O4'-C1'-N19 113.134 4.934 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-O4' 113.251 2.893 . 0.427 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 112.049 3.849 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 O4'-C1'-N19 111.927 3.727 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 112.395 4.195 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.448 4.248 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C4'-C3'-C2' 99.435 -3.265 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 110.936 2.736 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 O4'-C1'-N19 110.704 2.504 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.675 4.475 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 111.578 3.378 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 tpt . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 119.081 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -59.23 -68.29 0.29 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.562 1.145 . . . . 0.0 109.953 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 m 56.7 104.22 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.016 2.526 . . . . 0.0 114.141 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.45 85.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-O 121.952 0.882 . . . . 0.0 109.482 -168.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.527 HD21 ' HB ' ' A' ' 64' ' ' VAL . 2.9 m120 -59.52 117.9 5.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.28 1.032 . . . . 0.0 109.673 -172.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.38 -161.5 1.04 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.728 1.211 . . . . 0.0 108.473 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.93 140.84 21.07 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 165.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.92 153.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.797 1.239 . . . . 0.0 111.372 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.437 HH21 ' CB ' ' A' ' 16' ' ' ALA . 60.4 mtp180 -130.18 151.99 50.11 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.881 1.272 . . . . 0.0 112.35 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.56 12.96 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.492 2.717 . . . . 0.0 110.379 -175.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -111.27 13.0 21.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.565 1.946 . . . . 0.0 111.233 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -25.96 67.48 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 115.654 -162.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 -0.91 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 128.067 2.746 . . . . 0.0 118.509 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 141.64 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 1 C-N-CA 135.705 5.602 . . . . 0.0 109.974 163.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.22 -37.56 38.61 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.199 1.38 . . . . 0.0 113.026 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -61.63 -55.28 32.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.913 0.885 . . . . 0.0 110.893 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.47 -28.15 58.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.562 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 -32.18 12.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 116.231 -1.842 . . . . 0.0 113.641 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -65.93 -42.11 90.52 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 121.987 2.176 . . . . 0.0 109.619 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -60.41 3.79 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.709 1.204 . . . . 0.0 110.75 -177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -66.49 -19.82 65.88 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 119.066 0.848 . . . . 0.0 112.468 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -16.94 62.6 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.8 -53.8 3.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.205 1.002 . . . . 0.0 110.192 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 p30 136.9 -9.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 1 C-N-CA 132.293 4.237 . . . . 0.0 112.625 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -74.68 173.2 10.81 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.068 1.347 . . . . 0.0 107.59 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -156.0 153.28 25.39 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.55 155.44 50.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.024 1.816 . . . . 0.0 112.741 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.3 7.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.842 1.257 . . . . 0.0 110.655 163.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 tp -134.57 155.59 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.44 1.496 . . . . 0.0 110.713 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.8 mt -125.27 81.29 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 C-N-CA 125.816 1.647 . . . . 0.0 106.604 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 0.1 OUTLIER -93.23 -173.99 3.41 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.04 106.21 1.03 Allowed Glycine 0 CA--C 1.522 0.487 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -158.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.22 62.41 1.77 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.862 1.22 . . . . 0.0 111.161 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -143.67 -41.18 0.29 Allowed 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.878 2.871 . . . . 0.0 110.15 -171.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.42 -1.51 4.99 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.57 1.548 . . . . 0.0 112.404 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.78 152.68 0.12 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 126.514 1.926 . . . . 0.0 110.599 -158.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CG ' " H1'" ' B' ' 274' ' ' ' U' . 6.1 Cg_exo -62.0 179.26 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.614 2.876 . . . . 0.0 116.879 -175.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 tt -155.22 108.86 2.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.961 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.77 53.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.954 -0.546 . . . . 0.0 109.746 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.45 146.22 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.983 1.313 . . . . 0.0 108.03 174.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -103.21 106.33 16.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.308 3.043 . . . . 0.0 107.157 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.45 167.75 15.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.102 0.953 . . . . 0.0 112.195 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -69.58 123.85 22.41 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.013 1.725 . . . . 0.0 108.125 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -52.15 42.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.132 0.573 . . . . 0.0 110.801 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.281 0.491 . . . . 0.0 111.333 -172.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.02 -75.08 0.06 Allowed 'General case' 0 C--N 1.344 0.353 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.023 163.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 p -56.13 -27.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 119.886 1.221 . . . . 0.0 113.97 -170.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 tpp -50.19 -62.34 1.64 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.135 0.974 . . . . 0.0 108.779 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.8 -20.73 37.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.42 -67.41 0.79 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.31 -18.35 2.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.543 2.337 . . . . 0.0 112.738 174.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.57 22.95 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.422 1.489 . . . . 0.0 112.599 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.24 160.82 23.07 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.275 1.398 . . . . 0.0 110.532 166.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.03 -24.72 59.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.62 -23.87 18.95 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.736 1.614 . . . . 0.0 111.398 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 73.0 t80 -73.16 -49.06 30.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 121.126 -0.984 . . . . 0.0 112.536 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -83.43 -29.38 28.14 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.242 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -84.74 -18.58 34.71 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.404 1.082 . . . . 0.0 111.898 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.75 143.64 47.26 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 147.29 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.711 0.805 . . . . 0.0 112.191 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 ' CE2' ' A' ' 56' ' ' PHE . 12.6 mt -114.95 161.35 18.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.711 1.604 . . . . 0.0 108.649 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -117.31 97.17 5.76 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 109.664 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mm -76.21 111.05 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' HB ' HD21 ' A' ' 5' ' ' ASN . 36.0 t -93.62 82.88 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 14.2 m -74.53 99.54 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.114 1.766 . . . . 0.0 106.416 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t70 56.85 30.45 17.89 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.811 0.338 . . . . 0.0 111.669 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.53 58.49 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.657 -1.079 . . . . 0.0 114.46 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -100.07 122.88 43.62 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.154 1.477 . . . . 0.0 108.385 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -98.51 108.83 21.62 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.098 0.959 . . . . 0.0 110.519 -162.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.89 131.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -85.96 128.01 34.75 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 123.449 0.699 . . . . 0.0 110.474 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.0 m -151.86 163.16 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -135.25 136.09 41.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.548 1.139 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.99 147.76 51.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -131.19 -38.67 1.21 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.732 1.213 . . . . 0.0 112.33 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -141.75 80.81 1.74 Allowed 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 25.8 m -77.14 140.77 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 158.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -121.87 114.95 21.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -76.01 162.19 28.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.031 0.532 . . . . 0.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 159.71 72.48 Favored Pre-proline 0 CA--C 1.536 0.441 0 C-N-CA 123.531 0.732 . . . . 0.0 110.778 169.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.82 -8.88 13.32 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.191 2.594 . . . . 0.0 113.77 -173.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -147.27 -55.2 0.23 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.88 1.218 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -83.24 157.15 65.92 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.012 1.725 . . . . 0.0 110.269 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.68 74.84 5.28 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.723 2.949 . . . . 0.0 111.167 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -136.86 -167.66 2.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.659 1.584 . . . . 0.0 109.315 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mt -133.41 137.85 45.97 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.934 1.694 . . . . 0.0 108.358 -172.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -86.65 -36.69 18.62 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.675 1.19 . . . . 0.0 110.511 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -176.24 154.67 1.4 Allowed 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 124.905 1.282 . . . . 0.0 109.644 -168.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.6 mt -139.53 157.36 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -141.07 128.28 20.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.467 1.507 . . . . 0.0 107.521 -169.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -125.33 143.53 50.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -93.57 147.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.555 0.616 . . . . 0.0 109.489 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -58.09 89.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.155 2.182 . . . . 0.0 110.329 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.681 1.192 . . . . 0.0 111.734 177.119 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C4'-C3'-C2' 100.348 -2.352 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C4'-C3'-C2' 100.034 -2.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 O4'-C1'-N19 110.809 2.609 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 1 O4'-C1'-N19 112.938 4.738 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 1 O4'-C1'-N19 114.532 6.332 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 C5'-C4'-O4' 112.861 2.615 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 111.171 2.971 . 0.205 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.454 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 113.54 5.34 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 C4'-C3'-C2' 98.604 -4.096 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 0 C4'-C3'-C2' 99.797 -2.903 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 2 O4'-C1'-N19 112.893 4.693 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . 0.402 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 O4'-C1'-N19 111.388 3.188 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 110.772 2.572 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . 0.4 HO2' " H5'" ' B' ' 281' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 O4'-C1'-N19 113.037 4.837 . 0.698 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . 0.4 " H5'" HO2' ' B' ' 280' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.453 4.253 . 0.192 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 1 O4'-C1'-N19 112.806 4.606 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 112.061 3.861 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.12 2.92 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.179 3.979 . 0.672 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 P-O3'-C3' 123.675 3.312 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 N19-C1'-C2' 119.65 3.906 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 O4'-C1'-N19 112.157 3.957 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O4'-C1'-N19 111.822 3.622 . 0.294 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 O4'-C1'-N19 113.243 5.043 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C4'-C3'-C2' 99.549 -3.151 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 O4'-C1'-N19 113.658 5.458 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.15 0 C5'-C4'-O4' 113.321 2.944 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . 0.402 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.149 2.949 . 0.491 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 O4'-C1'-N19 111.873 3.673 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 112.158 3.958 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 112.092 3.892 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.511 4.311 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 O4'-C1'-N19 110.862 2.662 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.519 0 O4'-C1'-N19 111.369 3.169 . 0.222 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 110.757 2.557 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 O4'-C1'-N19 113.153 4.953 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C1'-N19 111.851 3.651 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.09 -69.97 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.813 1.245 . . . . 0.0 109.956 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m 58.61 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 128.117 2.567 . . . . 0.0 113.981 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -104.05 82.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -168.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.441 HD21 ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.25 107.39 0.64 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -175.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.86 -161.62 0.76 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.478 1.911 . . . . 0.0 107.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -152.15 142.95 22.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 167.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.48 144.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.642 -0.661 . . . . 0.0 110.835 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -138.15 157.48 46.23 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.077 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -136.57 -2.23 2.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.846 1.658 . . . . 0.0 113.361 168.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.35 13.15 0.18 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.8 2.44 . . . . 0.0 115.348 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -31.63 16.55 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -170.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.34 -1.43 0.03 OUTLIER Glycine 0 CA--C 1.546 1.99 0 C-N-CA 127.738 2.59 . . . . 0.0 117.919 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp 135.4 -25.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 1 C-N-CA 135.574 5.55 . . . . 0.0 110.264 169.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.49 -51.75 21.14 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.566 1.079 . . . . 0.0 111.798 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.09 69.3 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.202 1.401 . . . . 0.0 111.691 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 m -58.42 -29.37 66.06 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.801 -0.562 . . . . 0.0 111.51 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -40.15 15.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 115.941 -1.98 . . . . 0.0 111.793 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.73 78.49 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 122.041 2.201 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -60.7 2.44 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.455 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.12 -20.55 64.18 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-O 118.417 -0.802 . . . . 0.0 112.478 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.34 -15.84 59.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.82 -59.07 2.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.286 1.034 . . . . 0.0 108.868 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 136.22 0.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 131.47 3.908 . . . . 0.0 111.813 -162.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -81.33 175.02 10.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 153.69 12.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.45 162.09 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.51 1.473 . . . . 0.0 114.064 -167.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.46 179.96 6.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.602 1.161 . . . . 0.0 111.35 162.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tp -135.52 157.48 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 125.63 1.572 . . . . 0.0 110.2 171.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.1 mt -127.85 94.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -174.01 2.52 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -167.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.29 31.68 54.1 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.407 -0.361 . . . . 0.0 112.821 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.15 -102.99 0.83 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptt 174.59 -26.13 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.158 2.583 . . . . 0.0 110.592 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -93.78 -4.65 49.91 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.701 2.001 . . . . 0.0 111.339 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 101.66 163.22 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 131.615 3.966 . . . . 0.0 109.855 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 10.6 Cg_endo -91.56 -166.98 0.19 Allowed 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.538 3.492 . . . . 0.0 112.318 -167.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tp -148.03 102.72 3.41 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.377 0.608 . . . . 0.0 110.509 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.61 134.35 45.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.07 141.3 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -90.94 113.78 26.09 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 127.586 2.354 . . . . 0.0 107.905 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.22 165.89 22.35 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 111.928 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -77.79 135.78 38.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -70.05 -52.37 24.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.382 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.05 -32.57 71.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.638 0.654 . . . . 0.0 111.964 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -58.72 -77.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.494 1.518 . . . . 0.0 108.67 166.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -60.54 -24.27 31.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 tpp -50.56 -64.32 0.84 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.134 1.374 . . . . 0.0 108.876 167.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -56.32 -18.99 12.38 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.326 0.966 . . . . 0.0 113.429 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -84.72 -65.69 0.98 Allowed 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.538 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -60.8 -9.01 3.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.024 1.284 . . . . 0.0 113.962 174.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.72 19.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.308 1.443 . . . . 0.0 111.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.94 158.28 32.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.881 1.218 . . . . 0.0 109.702 161.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.6 58.44 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.52 -19.18 23.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.377 1.871 . . . . 0.0 111.873 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.538 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 53.6 t80 -75.38 -46.54 32.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.398 -0.814 . . . . 0.0 112.764 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -85.87 -28.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.0 t -78.31 -37.69 44.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.019 1.328 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.71 148.09 49.9 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -66.9 151.89 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 123.716 0.806 . . . . 0.0 112.652 -167.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.6 mt -115.58 160.83 19.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.161 2.184 . . . . 0.0 108.248 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.5 m -118.14 96.0 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 118.77 0.714 . . . . 0.0 109.454 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mt -80.87 109.08 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 120.399 -1.438 . . . . 0.0 111.99 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' HB ' HD21 ' A' ' 5' ' ' ASN . 47.2 t -94.63 81.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.973 1.709 . . . . 0.0 108.228 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.7 m -74.5 94.93 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 126.21 1.804 . . . . 0.0 108.868 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.32 24.61 10.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.141 0.976 . . . . 0.0 112.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -2.86 34.48 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.823 1.201 . . . . 0.0 114.345 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -92.8 119.28 31.99 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.25 102.48 13.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.005 0.82 . . . . 0.0 110.679 -163.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.91 127.06 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -167.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -83.54 122.98 29.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.951 0.5 . . . . 0.0 110.506 175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.1 m -154.16 162.39 2.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 125.011 1.324 . . . . 0.0 112.194 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.4 137.35 24.26 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 138.83 56.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.177 0.923 . . . . 0.0 112.358 -169.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -16.18 7.97 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.356 1.035 . . . . 0.0 111.646 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -159.52 125.39 4.29 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.433 1.893 . . . . 0.0 106.64 164.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.7 m -103.72 143.45 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 160.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -120.82 98.85 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -163.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -77.48 161.85 27.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.847 0.859 . . . . 0.0 111.617 -170.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 159.52 33.32 Favored Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 122.655 0.382 . . . . 0.0 110.588 159.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.48 -24.24 2.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.537 2.825 . . . . 0.0 113.482 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -147.56 11.19 0.98 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.072 0.949 . . . . 0.0 112.052 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -131.84 155.42 81.4 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 125.29 1.436 . . . . 0.0 108.488 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.55 49.13 2.97 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.439 3.426 . . . . 0.0 111.119 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -118.32 -176.9 3.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.021 1.728 . . . . 0.0 109.517 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.3 mt -121.84 164.99 16.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.068 1.747 . . . . 0.0 108.964 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.58 -27.56 3.11 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.796 2.439 . . . . 0.0 109.834 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 178.86 163.78 0.81 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 126.754 2.022 . . . . 0.0 109.265 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 73.2 mt -148.9 149.66 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 125.666 1.586 . . . . 0.0 106.993 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -120.83 155.03 34.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 164.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.31 149.62 52.48 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.35 148.94 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 118.409 0.549 . . . . 0.0 109.824 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -58.16 93.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.861 2.065 . . . . 0.0 110.52 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.794 -1.574 . . . . 0.0 111.727 170.543 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 O4'-C1'-N19 114.837 6.637 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 P-O3'-C3' 123.178 2.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 111.731 3.531 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 113.348 5.148 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 1 O4'-C1'-N19 114.948 6.748 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 0 C3'-C2'-C1' 104.22 3.022 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 P-O3'-C3' 125.522 4.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.482 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.582 1 O4'-C1'-N19 113.117 4.917 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 2 C4'-C3'-C2' 97.646 -5.054 . 0.023 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.404 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.773 0 C4'-C3'-C2' 100.228 -2.472 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . 0.404 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.404 2 O4'-C1'-N19 113.304 5.104 . 0.879 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 111.204 3.004 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.379 3.179 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 1 O4'-C1'-N19 114.537 6.337 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.321 0 C5'-C4'-C3' 110.606 -3.263 . 0.032 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 1 O4'-C1'-N19 112.302 4.102 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 O4'-C1'-N19 112.778 4.578 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O4'-C1'-N19 112.279 4.079 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 0 O4'-C1'-N19 111.212 3.012 . 0.559 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 P-O3'-C3' 123.542 3.201 . 0.309 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 2 O4'-C1'-N19 112.878 4.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 2 O4'-C1'-N19 113.659 5.459 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 112.017 3.817 . 0.456 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 O4'-C1'-N19 114.341 6.141 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C1'-O4'-C4' 112.313 3.015 . 0.086 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 1 O4'-C1'-N19 113.009 4.809 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C5'-C4'-O4' 113.398 2.998 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 O4'-C1'-N19 111.45 3.25 . 0.351 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 O4'-C1'-N19 111.596 3.396 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 O4'-C1'-N19 111.764 3.564 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 1 O4'-C1'-N19 112.313 4.113 . 0.492 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 112.011 3.811 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 N19-C1'-C2' 108.318 -3.176 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C1'-N19 112.079 3.879 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 111.338 3.138 . 0.459 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.404 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.023 1 O4'-C1'-N19 112.456 4.256 . 0.768 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.404 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 O4'-C1'-N19 111.795 3.595 . 0.846 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptm . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 58.97 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.575 1.55 . . . . 0.0 109.035 -158.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.8 m 62.73 95.86 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.782 2.833 . . . . 0.0 112.542 172.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.48 84.1 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -166.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.24 117.59 5.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.24 -161.37 1.02 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.21 1.404 . . . . 0.0 108.059 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -158.08 139.82 13.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.438 1.895 . . . . 0.0 105.951 168.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.86 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 O-C-N 121.65 -0.656 . . . . 0.0 111.551 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.31 143.32 35.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.082 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 mmpt? -124.48 5.1 8.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.356 1.462 . . . . 0.0 112.951 173.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.43 11.49 2.97 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.235 2.214 . . . . 0.0 113.713 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -46.37 -37.25 7.3 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.258 1.823 . . . . 0.0 115.426 -168.135 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.21 0.55 0.01 OUTLIER Glycine 0 CA--C 1.538 1.482 0 C-N-CA 130.359 3.838 . . . . 0.0 119.367 -170.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 12' ' ' GLN . 2.2 mmtm 140.54 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 1 C-N-CA 136.769 6.028 . . . . 0.0 108.193 170.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.86 83.61 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.671 1.605 . . . . 0.0 113.607 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.46 27.35 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 118.548 1.174 . . . . 0.0 110.203 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -61.21 -20.17 62.48 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.068 -1.02 . . . . 0.0 112.559 -170.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -29.48 14.61 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.212 1.805 . . . . 0.0 113.411 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -77.09 -38.53 52.17 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.931 1.696 . . . . 0.0 109.89 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.71 -57.81 11.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.69 1.196 . . . . 0.0 110.125 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -63.09 -20.45 65.36 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.072 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.52 -15.28 59.92 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.49 -85.51 0.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 165.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.08 3.63 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 129.354 3.062 . . . . 0.0 110.85 173.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.11 176.42 8.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.8 2.04 . . . . 0.0 106.478 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -161.15 152.96 16.37 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -73.6 152.58 48.44 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.69 1.593 . . . . 0.0 112.364 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.33 179.96 6.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.009 1.324 . . . . 0.0 110.792 162.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -136.79 156.19 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 C-N-CA 124.144 0.977 . . . . 0.0 109.974 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.15 93.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.251 5.5 p90 -105.17 -175.24 2.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -176.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.83 -14.04 0.1 OUTLIER Glycine 0 C--N 1.337 0.59 0 CA-C-O 118.134 -1.37 . . . . 0.0 114.984 -170.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 49.3 35.68 21.05 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.265 1.888 . . . . 0.0 115.715 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -129.99 -25.05 2.57 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 126.476 1.911 . . . . 0.0 113.035 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.47 6.23 3.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.871 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.9 153.42 0.11 Allowed Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 127.192 2.197 . . . . 0.0 110.92 -162.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.507 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 11.3 Cg_endo -91.51 -172.14 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.483 2.122 . . . . 0.0 112.119 -163.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -151.77 98.06 2.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.347 0.594 . . . . 0.0 110.014 -166.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.93 132.94 49.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.26 142.85 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.46 113.92 26.18 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 128.026 2.53 . . . . 0.0 107.829 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.54 164.88 26.17 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.85 0.834 . . . . 0.0 111.194 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.0 132.88 40.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.263 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -66.89 -50.25 63.04 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.393 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.48 -34.78 76.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.384 0.538 . . . . 0.0 111.444 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -62.73 -73.79 0.1 Allowed 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.93 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 tpp -51.13 -63.38 1.15 Allowed 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.488 1.115 . . . . 0.0 108.542 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -56.87 -19.0 15.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.31 -67.78 0.76 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -60.41 -7.75 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 176.133 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -1.55 20.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.434 1.494 . . . . 0.0 111.877 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 158.99 31.95 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.012 1.278 . . . . 0.0 110.066 162.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -23.15 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.25 -20.6 28.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.191 1.796 . . . . 0.0 111.598 172.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 53.0 t80 -70.8 -52.11 22.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.191 -0.943 . . . . 0.0 112.073 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -81.46 -28.65 34.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.939 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -78.97 -34.74 43.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.924 1.29 . . . . 0.0 110.991 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 127.9 45.26 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -169.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.97 145.06 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.018 1.727 . . . . 0.0 113.3 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 56' ' ' PHE . 8.3 mt -113.29 157.67 21.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.911 1.284 . . . . 0.0 108.194 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' HB ' HG23 ' A' ' 3' ' ' THR . 8.7 m -113.41 100.51 8.59 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.18 0.514 . . . . 0.0 109.623 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.2 mm -80.2 104.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 124.912 1.285 . . . . 0.0 108.207 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.53 81.99 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.2 m -74.6 99.6 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.3 t70 56.06 30.93 17.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.012 0.434 . . . . 0.0 111.625 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.48 -3.0 57.66 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 118.581 -1.122 . . . . 0.0 114.578 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -101.1 125.05 47.69 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 119.305 1.552 . . . . 0.0 108.676 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -101.36 107.18 18.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.617 0.767 . . . . 0.0 111.283 -159.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.81 126.74 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -168.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -85.67 124.51 32.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.548 0.739 . . . . 0.0 110.926 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 m -150.77 160.82 3.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 124.656 1.182 . . . . 0.0 113.416 178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -132.9 134.97 45.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.624 1.17 . . . . 0.0 109.529 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 139.51 58.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.704 0.628 . . . . 0.0 112.158 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -28.73 4.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.276 1.03 . . . . 0.0 111.402 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.72 116.35 2.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.892 2.077 . . . . 0.0 106.072 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.4 m -93.52 141.73 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 159.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -122.03 100.81 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.796 2.038 . . . . 0.0 105.734 -171.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -76.7 166.01 23.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.188 1.795 . . . . 0.0 111.14 -168.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.41 159.62 11.48 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 122.68 0.392 . . . . 0.0 110.844 159.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -84.36 -21.24 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.931 2.421 . . . . 0.0 113.18 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -149.34 9.83 0.75 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.924 0.89 . . . . 0.0 112.866 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -135.77 157.02 76.97 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 124.848 1.259 . . . . 0.0 109.004 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.67 55.44 5.51 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.184 3.256 . . . . 0.0 111.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.58 -174.04 2.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.097 1.759 . . . . 0.0 110.187 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -124.98 162.05 25.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.106 1.762 . . . . 0.0 108.77 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.9 -25.27 3.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.269 2.228 . . . . 0.0 110.409 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -176.09 159.03 2.06 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.603 1.561 . . . . 0.0 109.178 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.2 mt -146.74 152.5 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -124.06 159.35 30.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 165.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.6 156.8 48.06 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 106.608 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.77 147.45 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 118.575 0.625 . . . . 0.0 109.612 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -53.3 90.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.613 2.365 . . . . 0.0 111.034 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.574 172.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.181 -3.519 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 P-O3'-C3' 124.845 4.287 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 O4'-C1'-N19 111.231 3.031 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 113.668 5.468 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 O4'-C1'-N19 115.286 7.086 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O4'-C1'-N19 110.449 2.249 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.41 0 P-O3'-C3' 124.304 3.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.507 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.409 -3.664 1 O4'-C1'-N19 113.638 5.438 . 0.079 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.751 2 C4'-C3'-C2' 97.442 -5.258 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.452 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.739 0 C4'-C3'-C2' 99.568 -3.132 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . 0.452 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 2 P-O3'-C3' 125.434 4.778 . 0.833 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . 0.415 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O4'-C1'-N19 111.156 2.956 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.415 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 O4'-C1'-N19 111.642 3.442 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 O4'-C1'-N19 113.967 5.767 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C5'-C4'-C3' 109.958 -3.695 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 1 O4'-C1'-N19 112.338 4.138 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 1 O4'-C1'-N19 113.681 5.481 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.509 " C2'" ' H42' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 C3'-C2'-C1' 105.194 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 C5'-C4'-C3' 108.913 -4.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . 0.509 ' H42' " C2'" ' B' ' 284' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.405 -4.02 0 C4'-C3'-O3' 117.961 2.831 OUTLIER-EPSILON 0.528 2[ . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 1 P-O3'-C3' 126.427 5.606 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.615 4.415 . 0.432 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 O4'-C1'-N19 112.072 3.872 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 O4'-C1'-N19 113.489 5.289 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C4'-C3'-C2' 100.231 -2.469 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 1 O4'-C1'-N19 113.504 5.304 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.038 0 C5'-C4'-O4' 113.228 2.877 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . 0.402 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 112.162 3.962 OUTLIER-DELTA 0.053 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.506 3.306 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 O4'-C1'-N19 112.295 4.095 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 O4'-C1'-N19 112.457 4.257 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 112.189 3.989 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.22 4.02 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.541 0 O5'-C5'-C4' 114.898 3.356 . 0.061 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 P-O3'-C3' 122.957 2.714 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.647 4.447 . 0.782 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.621 3.421 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptm . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.951 0.405 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 59.14 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 108.761 -158.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m 63.59 100.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.837 2.855 . . . . 0.0 112.731 170.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 84.57 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -164.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.47 96.41 0.16 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.754 1.222 . . . . 0.0 110.195 -168.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.1 -158.54 0.68 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.163 0.985 . . . . 0.0 108.436 -176.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -161.95 133.28 5.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.578 1.951 . . . . 0.0 106.288 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.7 140.22 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 C-N-CA 123.502 0.721 . . . . 0.0 111.308 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.59 148.73 36.32 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.276 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -133.69 -2.97 2.96 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.369 1.467 . . . . 0.0 113.245 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.99 13.87 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 129.026 2.93 . . . . 0.0 115.138 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -45.04 30.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -166.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -14.03 -63.1 0.01 OUTLIER Glycine 0 N--CA 1.473 1.111 0 C-N-CA 129.696 3.522 . . . . 0.0 114.036 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -171.1 -11.53 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 128.289 2.635 . . . . 0.0 109.212 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.5 -38.98 52.3 Favored Glycine 0 C--N 1.344 0.988 0 C-N-CA 126.574 2.035 . . . . 0.0 114.062 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -48.06 13.9 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 123.551 0.74 . . . . 0.0 110.954 172.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 -27.86 66.81 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -74.79 -57.22 4.05 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 115.955 -1.974 . . . . 0.0 109.069 170.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -63.55 -42.75 98.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.774 2.079 . . . . 0.0 110.149 -164.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.05 -61.71 2.26 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.751 1.22 . . . . 0.0 110.01 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.4 -23.28 62.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.954 0.902 . . . . 0.0 112.402 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.46 -13.02 55.65 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.632 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.77 -85.12 0.45 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 164.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.75 5.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.263 1.825 . . . . 0.0 112.288 -174.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.54 174.85 6.64 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.381 1.872 . . . . 0.0 106.526 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.04 152.56 8.63 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -70.66 163.05 40.37 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.478 1.452 . . . . 0.0 113.048 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.51 179.41 6.57 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.281 1.432 . . . . 0.0 109.706 159.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -135.24 156.57 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.601 1.16 . . . . 0.0 110.214 169.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.7 mt -117.82 93.16 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 170.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.78 -179.75 0.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 110.413 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.02 86.35 0.18 Allowed Glycine 0 C--N 1.337 0.615 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 166.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.11 -12.42 16.01 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.587 1.089 . . . . 0.0 115.298 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -52.7 -44.07 66.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.267 2.627 . . . . 0.0 111.409 168.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.08 8.44 2.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.469 1.508 . . . . 0.0 113.992 -171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 70.32 167.7 0.12 Allowed Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 127.156 2.182 . . . . 0.0 112.417 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' CG ' " H1'" ' B' ' 274' ' ' ' U' . 14.0 Cg_exo -79.41 -178.13 4.38 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.965 3.11 . . . . 0.0 115.429 -159.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tp -158.83 100.83 1.61 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 122.677 0.391 . . . . 0.0 110.152 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.07 137.83 40.43 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.12 131.93 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.592 1.557 . . . . 0.0 108.031 -174.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.98 126.92 31.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 127.868 2.467 . . . . 0.0 108.668 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.45 168.32 20.01 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 121.701 0.763 . . . . 0.0 112.363 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.01 137.35 38.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.984 1.314 . . . . 0.0 109.239 177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.14 -54.35 10.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.939 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.24 -30.46 69.42 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.907 0.776 . . . . 0.0 112.115 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.84 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.944 2.098 . . . . 0.0 109.681 167.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.12 -27.4 9.65 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 tpp -50.66 -65.06 0.62 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.62 1.168 . . . . 0.0 109.222 167.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 -18.27 7.16 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mmt -84.51 -66.69 0.87 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 118.358 -0.83 . . . . 0.0 108.776 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.02 -8.38 3.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.007 1.276 . . . . 0.0 113.916 175.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -1.19 17.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.387 1.475 . . . . 0.0 111.847 174.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 158.28 34.63 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.95 1.25 . . . . 0.0 109.888 160.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.22 60.29 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -56.15 -21.03 20.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.957 1.703 . . . . 0.0 111.776 171.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.0 t80 -72.12 -49.6 34.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.172 -0.955 . . . . 0.0 112.471 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -85.65 -25.5 26.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.456 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -83.39 -30.34 27.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.106 1.362 . . . . 0.0 110.979 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 127.78 44.09 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -173.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.49 145.04 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.969 1.708 . . . . 0.0 112.903 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 39.1 mt -110.88 157.62 19.64 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.91 1.684 . . . . 0.0 108.038 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -111.78 98.46 7.41 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.3 mm -73.65 111.07 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 O-C-N 120.99 -1.069 . . . . 0.0 108.722 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.72 83.59 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -72.23 95.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 125.779 1.632 . . . . 0.0 108.532 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.28 25.97 8.02 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.424 1.09 . . . . 0.0 112.468 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 -4.77 27.97 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.907 1.242 . . . . 0.0 114.695 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -101.06 126.04 47.72 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.432 1.616 . . . . 0.0 108.325 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -103.1 108.59 19.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.983 0.513 . . . . 0.0 110.725 -159.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.0 128.76 69.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -83.25 124.61 30.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.468 0.707 . . . . 0.0 111.166 172.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 m -151.47 162.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 C-N-CA 124.881 1.273 . . . . 0.0 112.85 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -135.65 128.58 31.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.47 31.41 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 124.504 1.128 . . . . 0.0 110.683 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 -16.22 10.56 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.256 0.973 . . . . 0.0 111.499 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -161.84 126.06 3.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 160.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.82 144.1 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 162.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.5 104.01 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -75.29 166.47 23.56 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.104 0.962 . . . . 0.0 110.362 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 162.26 51.13 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.651 0.78 . . . . 0.0 110.687 164.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.94 -24.8 2.57 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.486 2.791 . . . . 0.0 112.917 -171.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -147.71 10.22 0.93 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.702 1.201 . . . . 0.0 112.167 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -124.18 159.13 58.34 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 125.472 1.509 . . . . 0.0 108.425 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.76 9.05 2.07 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.715 2.943 . . . . 0.0 112.843 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -78.0 -177.77 5.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.49 1.116 . . . . 0.0 109.834 -175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.9 mt -117.45 162.65 17.62 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.409 1.484 . . . . 0.0 108.309 175.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -123.18 -28.44 4.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.875 2.07 . . . . 0.0 111.014 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -178.37 162.11 1.46 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.528 1.531 . . . . 0.0 109.295 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.3 mt -147.24 146.06 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.33 155.56 29.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.78 0.832 . . . . 0.0 108.818 167.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -131.34 154.35 48.67 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.804 1.642 . . . . 0.0 107.325 165.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.2 158.8 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 118.066 -0.968 . . . . 0.0 108.628 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -62.25 100.98 0.19 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.133 0.878 . . . . 0.0 109.9 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.449 166.397 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 1 O4'-C1'-N19 114.51 6.31 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C3'-C2'-C1' 103.846 2.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.704 2.504 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 O4'-C1'-N19 112.662 4.462 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 1 O4'-C1'-N19 114.802 6.602 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C5'-C4'-O4' 112.195 2.14 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.662 0 C5'-C4'-C3' 111.786 -2.476 . 0.591 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.429 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.464 2 O4'-C1'-N19 112.935 4.735 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 2 O4'-C1'-N19 112.741 4.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.727 0 N19-C1'-C2' 108.64 -2.975 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 113.358 5.158 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 111.625 3.425 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 O4'-C1'-N19 110.708 2.508 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 114.0 5.8 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C5'-C4'-C3' 110.239 -3.507 . 0.05 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 1 O4'-C1'-N19 112.458 4.258 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.728 4.528 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.449 4.249 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 O4'-C1'-N19 111.406 3.206 . 0.541 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 P-O3'-C3' 122.664 2.47 . 0.505 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.382 -2.363 2 O4'-C1'-N19 113.06 4.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . 0.445 HO2' " H5'" ' B' ' 294' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.179 2 O4'-C1'-N19 114.559 6.359 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . 0.445 " H5'" HO2' ' B' ' 293' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.819 3.619 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O4'-C1'-N19 113.191 4.991 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C5'-C4'-C3' 110.316 -3.456 . 0.12 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 1 O4'-C1'-N19 112.914 4.714 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C5'-C4'-O4' 113.168 2.835 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.453 3.253 OUTLIER-DELTA 0.134 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.273 3.073 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.723 3.523 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.688 4.488 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 1 O4'-C1'-N19 113.256 5.056 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 P-O3'-C3' 122.029 1.94 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 P-O3'-C3' 123.295 2.996 . 0.164 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 100.329 -2.371 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.443 4.243 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 O4'-C1'-N19 111.705 3.505 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -46.62 -65.08 0.61 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.087 1.755 . . . . 0.0 111.457 -170.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 59.14 104.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.28 2.632 . . . . 0.0 114.619 170.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.58 84.78 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -169.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.461 HD21 ' HB ' ' A' ' 64' ' ' VAL . 2.8 m120 -63.41 100.79 0.27 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.011 0.925 . . . . 0.0 110.546 -170.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.17 -160.12 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.03 139.0 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -63.29 134.98 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.71 -0.619 . . . . 0.0 110.841 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.59 148.34 51.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 174.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -128.44 -1.47 5.59 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.912 2.085 . . . . 0.0 112.49 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.96 14.29 0.3 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.158 2.583 . . . . 0.0 114.416 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -31.66 32.46 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.19 -14.58 1.34 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.459 1.981 . . . . 0.0 116.391 -172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG3' ' H42' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 166.28 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 130.755 3.622 . . . . 0.0 109.747 158.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.93 98.02 Favored Glycine 0 C--N 1.344 0.992 0 C-N-CA 124.496 1.046 . . . . 0.0 112.683 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.78 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.493 0.717 . . . . 0.0 111.447 173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -55.92 -33.9 65.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.597 0.237 . . . . 0.0 111.462 -172.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -34.58 14.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 116.632 -1.652 . . . . 0.0 112.379 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -71.54 -41.07 69.6 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.047 1.749 . . . . 0.0 110.907 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.75 -59.64 5.06 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.354 1.062 . . . . 0.0 109.573 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -57.76 -25.79 60.97 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.126 0.891 . . . . 0.0 111.433 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 -11.72 60.02 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.97 19.06 7.13 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.22 1.808 . . . . 0.0 112.577 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 66.47 7.71 5.23 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -84.19 177.59 8.15 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 159.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.78 154.77 9.09 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -70.33 159.94 51.26 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 121.483 1.455 . . . . 0.0 113.479 -172.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 174.51 11.1 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.329 1.452 . . . . 0.0 109.596 160.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -130.76 156.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 125.348 1.459 . . . . 0.0 109.771 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -126.86 94.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.284 6.8 p90 -106.31 -174.88 2.64 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 -13.08 0.14 Allowed Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.123 -0.82 . . . . 0.0 114.062 -168.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.03 -55.21 3.1 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.181 1.848 . . . . 0.0 114.273 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HE3' H5'' ' B' ' 305' ' ' ' G' . 75.2 mttt -61.02 -23.08 65.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.8 2.84 . . . . 0.0 113.056 -161.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -134.47 8.6 3.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.63 1.572 . . . . 0.0 112.613 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.01 162.04 0.12 Allowed Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.796 1.638 . . . . 0.0 111.247 -161.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.509 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 1.3 Cg_endo -96.41 -168.03 0.12 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.824 3.016 . . . . 0.0 111.808 -168.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -157.29 98.8 1.74 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 109.521 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.94 132.96 46.0 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -139.87 129.14 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.128 1.371 . . . . 0.0 108.621 -174.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -81.93 116.2 21.46 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 130.513 3.525 . . . . 0.0 109.58 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.02 167.01 21.4 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.076 0.55 . . . . 0.0 111.833 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.09 134.26 42.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -54.11 10.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.918 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -23.61 65.67 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.871 0.759 . . . . 0.0 111.886 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -58.9 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.895 1.678 . . . . 0.0 109.274 161.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -50.28 -26.64 3.55 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.8 -63.52 1.09 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 124.809 1.243 . . . . 0.0 109.595 168.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -55.65 -24.4 33.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.3 mmt -82.36 -65.57 0.99 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.4 -17.72 3.38 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.871 2.069 . . . . 0.0 113.162 172.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.27 -3.03 21.25 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 112.862 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 157.58 35.35 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.472 1.487 . . . . 0.0 109.97 163.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.58 61.03 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.14 -23.1 32.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 41.7 t80 -76.09 -43.84 41.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.168 -0.957 . . . . 0.0 112.915 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -86.39 -29.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.117 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.7 t -79.25 -28.21 42.4 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.393 1.077 . . . . 0.0 110.906 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 144.11 51.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -174.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.85 149.18 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.434 1.094 . . . . 0.0 112.777 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 56' ' ' PHE . 24.2 mt -115.3 160.64 19.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.553 1.941 . . . . 0.0 108.44 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -117.64 95.69 5.05 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.943 0.792 . . . . 0.0 108.997 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 mt -83.16 108.28 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 O-C-N 120.787 -1.196 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.461 ' HB ' HD21 ' A' ' 5' ' ' ASN . 24.2 t -92.55 83.16 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 m -74.53 94.53 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 C-N-CA 126.269 1.828 . . . . 0.0 107.44 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 57.71 27.29 14.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 0.0 112.295 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.71 31.42 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.686 -1.064 . . . . 0.0 114.201 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -97.42 120.66 38.19 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.177 1.488 . . . . 0.0 108.927 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -90.57 112.92 24.8 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.718 0.807 . . . . 0.0 111.093 -167.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -114.45 123.98 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -83.15 122.11 27.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.418 0.687 . . . . 0.0 110.37 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.423 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 27.3 m -149.54 155.61 8.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 C-N-CA 125.255 1.422 . . . . 0.0 112.278 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -126.46 131.73 51.6 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.27 137.6 58.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.05 0.843 . . . . 0.0 111.064 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -127.47 -34.64 2.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.243 1.417 . . . . 0.0 110.482 -165.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -154.11 107.41 2.91 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.282 1.433 . . . . 0.0 107.146 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.5 m -85.74 148.96 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 165.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -126.99 107.52 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -167.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -84.27 166.56 17.39 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.39 1.076 . . . . 0.0 111.898 -170.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 162.94 40.68 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.562 0.745 . . . . 0.0 111.101 164.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.36 -33.58 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.904 2.402 . . . . 0.0 112.839 -171.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.75 -12.25 1.75 Allowed 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.25 1.02 . . . . 0.0 113.122 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.57 160.14 27.09 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.412 . . . . 0.0 108.908 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.59 9.15 1.64 Allowed 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.592 2.861 . . . . 0.0 113.505 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -79.86 -169.69 2.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.134 2.174 . . . . 0.0 111.509 -171.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.1 mt -125.46 158.04 35.43 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.839 2.055 . . . . 0.0 108.82 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -122.81 -23.76 4.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.88 1.672 . . . . 0.0 111.333 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -174.05 161.6 3.66 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 125.04 1.336 . . . . 0.0 109.742 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 78.1 mt -146.28 144.88 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -115.85 125.74 53.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -112.07 160.98 16.99 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 161.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.01 151.52 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.503 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -53.52 93.25 0.01 OUTLIER 'General case' 0 C--N 1.343 0.325 0 C-N-CA 126.6 1.96 . . . . 0.0 110.766 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.423 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.929 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 C5'-C4'-C3' 111.168 -2.888 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 P-O3'-C3' 123.124 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.577 3.377 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 1 O4'-C1'-N19 113.162 4.962 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 O4'-C1'-N19 114.77 6.57 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.711 2.511 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 1 P-O3'-C3' 124.743 4.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.509 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.533 1 O4'-C1'-N19 113.915 5.715 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 2 C4'-C3'-C2' 97.292 -5.408 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.723 0 N19-C1'-C2' 109.254 -2.591 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 113.08 4.88 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 111.375 3.175 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.302 3.102 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 1 O4'-C1'-N19 113.846 5.646 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 C5'-C4'-C3' 109.853 -3.765 . 0.018 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.828 3.628 . 0.037 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 O4'-C1'-N19 113.27 5.07 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.682 3.482 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 P-O3'-C3' 122.533 2.361 . 0.663 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 109.806 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 N19-C1'-C2' 119.822 4.013 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.373 1 O4'-C1'-N19 113.803 5.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 112.481 4.281 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 2 O4'-C1'-N19 113.652 5.452 . 0.125 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O5'-C5'-C4' 114.702 3.215 OUTLIER-DELTA 0.029 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.468 ' H42' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 O4'-C1'-N19 113.056 4.856 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.916 0 C5'-C4'-O4' 113.106 2.79 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C5'-C4'-C3' 110.312 -3.459 . 0.197 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 O4'-C1'-N19 111.45 3.25 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 O4'-C1'-N19 112.112 3.912 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 113.025 4.825 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.852 4.652 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.965 1 C4'-C3'-C2' 98.566 -4.134 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . 0.576 H5'' ' HE3' ' A' ' 34' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 111.339 3.139 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 110.926 2.726 . 0.358 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.446 4.246 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.974 3.774 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptm . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.774 -0.155 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -62.29 -55.21 30.48 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.214 1.006 . . . . 0.0 112.403 -165.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m 62.56 114.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.097 2.559 . . . . 0.0 113.399 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.39 81.4 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.166 0.986 . . . . 0.0 108.365 -168.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.68 119.18 7.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.33 -161.86 1.03 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.041 1.337 . . . . 0.0 107.799 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.56 142.74 20.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 165.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 m -63.62 141.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.203 0.525 . . . . 0.0 110.799 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -137.72 155.69 48.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.509 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -134.57 -0.51 2.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.163 1.385 . . . . 0.0 112.872 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 11.57 0.61 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.066 2.146 . . . . 0.0 114.248 -176.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -38.29 9.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.892 2.077 . . . . 0.0 115.923 -166.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 7.65 0.01 OUTLIER Glycine 0 CA--C 1.545 1.938 0 C-N-CA 130.066 3.698 . . . . 0.0 120.143 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' CG ' ' H42' ' B' ' 297' ' ' ' C' . 6.0 mmtp 131.49 -27.48 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 1 C-N-CA 136.863 6.065 . . . . 0.0 109.477 174.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.76 -54.74 26.63 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.063 1.316 . . . . 0.0 112.176 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.58 64.04 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -64.18 -22.0 66.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -167.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -38.23 17.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 116.637 -1.649 . . . . 0.0 111.269 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -69.89 -34.89 74.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.034 1.743 . . . . 0.0 110.691 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -55.72 10.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.863 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -26.36 66.96 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.974 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.52 60.23 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.54 15.11 8.84 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.718 1.607 . . . . 0.0 112.826 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 65.93 9.28 5.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.77 0.828 . . . . 0.0 113.222 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -81.78 175.96 10.0 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.035 1.334 . . . . 0.0 108.443 165.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -159.94 153.84 19.53 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -77.12 160.75 33.0 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.679 1.586 . . . . 0.0 113.245 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.48 -178.35 5.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.479 1.111 . . . . 0.0 111.037 165.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -141.48 158.59 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.479 1.111 . . . . 0.0 110.224 175.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.2 mt -130.0 93.44 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.966 1.706 . . . . 0.0 106.51 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.21 -169.02 1.58 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -166.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.46 8.99 87.0 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 124.693 1.14 . . . . 0.0 113.68 -172.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 35' ' ' GLU . . . -75.94 -36.24 42.17 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-O 119.597 -0.557 . . . . 0.0 114.33 -162.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 tttp 72.87 -16.05 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.6 2.36 . . . . 0.0 112.758 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 33' ' ' GLY . 44.7 mt-10 -81.12 -23.72 38.16 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.067 2.147 . . . . 0.0 109.811 161.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 107.53 158.71 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.828 1 C-N-CA 133.802 4.841 . . . . 0.0 110.093 -177.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HG2' " H1'" ' B' ' 274' ' ' ' U' . 83.5 Cg_exo -76.16 -166.41 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.664 3.576 . . . . 0.0 117.336 -165.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -150.3 102.91 3.11 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.257 1.023 . . . . 0.0 109.764 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.25 136.04 46.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.019 0.528 . . . . 0.0 109.957 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.02 141.07 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.153 1.381 . . . . 0.0 107.497 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -89.21 117.83 28.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.744 2.418 . . . . 0.0 108.548 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.84 168.34 19.24 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.35 0.595 . . . . 0.0 111.211 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.2 132.57 41.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.357 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CE1' ' H ' ' A' ' 86' ' ' LEU . 1.5 t-80 -66.68 -49.43 66.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.406 174.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.48 -27.43 63.23 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.853 0.752 . . . . 0.0 111.759 -170.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.56 -77.71 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 CA-C-O 117.544 -1.217 . . . . 0.0 108.001 161.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.4 -26.06 21.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 CA-C-N 119.804 1.184 . . . . 0.0 113.39 -167.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -46.91 -64.26 0.82 Allowed 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 126.173 1.789 . . . . 0.0 109.34 167.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.83 -19.19 49.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.2 mmm -86.19 -68.72 0.72 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.525 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -61.6 -8.4 4.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 178.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.62 50.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.952 1.301 . . . . 0.0 112.442 173.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HE2' ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -127.38 152.82 46.99 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 118.71 0.686 . . . . 0.0 112.435 -168.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.13 74.99 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 -166.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.0 -38.37 85.88 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.815 1.246 . . . . 0.0 110.007 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 8.6 t80 -56.89 -46.03 82.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 120.521 1.51 . . . . 0.0 111.127 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.09 59.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.83 -176.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.3 t -85.04 -16.17 41.6 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.107 0.963 . . . . 0.0 111.552 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.21 172.22 8.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.319 1.448 . . . . 0.0 107.361 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.56 151.37 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 123.43 0.692 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 56' ' ' PHE . 12.7 mt -118.72 157.47 27.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.48 1.912 . . . . 0.0 108.067 174.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -112.02 106.73 15.46 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.07 104.74 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 125.081 1.352 . . . . 0.0 107.965 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.42 82.71 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 9.7 m -74.33 100.3 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 56.34 30.22 16.46 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.239 0.472 . . . . 0.0 111.863 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.42 -2.22 57.48 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 118.712 -1.049 . . . . 0.0 114.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 10.4 mtmt -102.84 124.44 48.37 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.064 1.432 . . . . 0.0 108.551 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -100.76 107.43 19.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.7 0.8 . . . . 0.0 110.854 -159.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.45 127.5 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -86.9 126.68 34.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.679 -0.638 . . . . 0.0 110.73 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.1 m -152.1 161.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.848 1.259 . . . . 0.0 113.169 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -131.61 136.03 47.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.91 0.884 . . . . 0.0 109.404 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.84 143.76 41.23 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.456 0.702 . . . . 0.0 112.149 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -135.61 -29.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.967 0.792 . . . . 0.0 111.527 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -158.39 100.32 1.65 Allowed 'General case' 0 C--N 1.341 0.226 0 C-N-CA 127.234 2.213 . . . . 0.0 105.986 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.3 m -93.85 136.15 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 161.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -98.17 139.09 34.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' C ' HE22 ' A' ' 87' ' ' GLN . 25.0 mmt85 -126.91 146.52 50.28 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 109.631 -168.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 164.16 58.66 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 123.111 0.564 . . . . 0.0 110.622 -173.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.34 -5.47 11.04 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.918 2.412 . . . . 0.0 113.72 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -135.95 -61.66 0.7 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.055 0.843 . . . . 0.0 110.036 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -80.68 168.19 27.13 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.317 1.847 . . . . 0.0 109.445 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.59 0.48 9.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.176 1.917 . . . . 0.0 114.167 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.76 158.36 3.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.424 1.489 . . . . 0.0 114.023 -163.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' H ' ' CE1' ' A' ' 44' ' ' HIS . 9.2 mt -115.74 106.57 14.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.328 1.051 . . . . 0.0 109.366 -158.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.428 HE22 ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -69.06 -27.53 65.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.35 173.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 178.44 158.14 0.49 Allowed 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.046 1.738 . . . . 0.0 109.343 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.1 mt -145.45 148.64 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 C-N-CA 125.932 1.693 . . . . 0.0 106.455 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -126.39 162.79 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.605 0.762 . . . . 0.0 109.114 168.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.01 151.97 51.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.9 m -104.69 147.57 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -56.57 91.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.22 2.208 . . . . 0.0 110.993 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.132 0 C-N-CA 124.166 0.986 . . . . 0.0 111.762 174.482 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C5'-C4'-C3' 111.585 -2.61 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 O4'-C1'-N19 110.214 2.014 . 0.372 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 O4'-C1'-N19 112.656 4.456 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 O4'-C1'-N19 114.571 6.371 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 C5'-C4'-O4' 112.688 2.491 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 110.823 2.623 . 0.617 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.402 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 O4'-C1'-N19 113.428 5.228 . 0.203 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 2 C4'-C3'-C2' 98.116 -4.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 1 N19-C1'-C2' 106.834 -4.104 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 2 O4'-C1'-N19 113.887 5.687 . 0.091 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O4'-C1'-N19 111.71 3.51 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.459 HO2' " H5'" ' B' ' 280' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 O4'-C1'-N19 111.926 3.726 . 0.366 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . 0.459 " H5'" HO2' ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 O4'-C1'-N19 114.705 6.505 . 0.615 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 109.59 -3.94 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 O4'-C1'-N19 111.972 3.772 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 113.331 5.131 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.814 4.614 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.847 0 C3'-C2'-C1' 104.658 3.509 . 0.013 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 P-O3'-C3' 126.697 5.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.477 1 N19-C1'-C2' 121.554 5.096 . 0.024 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 O4'-C1'-N19 112.603 4.403 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 112.072 3.872 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 1 O4'-C1'-N19 114.512 6.312 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O5'-C5'-C4' 114.605 3.146 . 0.046 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.647 ' H42' ' CG ' ' A' ' 14' ' ' LYS . . . . . . . . 0 P--O5' 1.625 3.2 1 O4'-C1'-N19 112.547 4.347 . 0.421 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-O4' 113.846 3.319 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 O3'-P-O5' 98.223 -3.04 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 O4'-C1'-N19 112.13 3.93 . 0.11 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.884 3.684 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 O4'-C1'-N19 113.178 4.978 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.514 4.314 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 C4'-C3'-C2' 98.373 -4.327 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.465 3.265 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 111.405 3.205 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O4'-C1'-N19 112.075 3.875 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 111.344 3.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.057 -0.497 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.59 -75.89 0.07 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.585 1.154 . . . . 0.0 109.802 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m 64.01 108.03 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 113.782 173.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.93 84.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 123.721 0.808 . . . . 0.0 109.239 -168.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.44 114.89 3.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -128.41 -166.26 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.768 2.027 . . . . 0.0 108.976 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -152.81 108.43 3.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.329 1.052 . . . . 0.0 109.971 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.3 m -49.54 118.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 118.247 0.476 . . . . 0.0 110.735 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.72 145.35 51.92 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.381 -174.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.1 mmpt? -126.49 -5.07 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.63 13.54 0.07 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.684 2.794 . . . . 0.0 115.249 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -34.7 16.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -172.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.71 -10.91 0.27 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 127.18 2.324 . . . . 0.0 116.601 -175.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 149.06 -19.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 1 C-N-CA 133.266 4.626 . . . . 0.0 110.868 159.393 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.76 -34.52 61.07 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 118.906 0.775 . . . . 0.0 112.87 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.08 -47.91 12.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.383 1.073 . . . . 0.0 110.861 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -57.52 -30.43 65.16 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.708 -0.62 . . . . 0.0 111.301 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -45.77 13.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.64 1.976 . . . . 0.0 111.038 176.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 121.811 2.096 . . . . 0.0 110.566 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.38 -61.88 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.395 1.078 . . . . 0.0 110.187 177.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -64.18 -19.69 65.49 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.431 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.37 -14.97 60.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.54 -88.59 0.34 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 169.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.77 7.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.863 2.465 . . . . 0.0 111.394 171.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -78.56 175.56 10.25 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 108.313 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.58 153.83 16.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -73.81 162.11 40.13 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.715 1.61 . . . . 0.0 113.55 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.83 177.86 8.05 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.306 1.042 . . . . 0.0 110.323 159.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -136.17 152.86 30.74 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 125.86 1.664 . . . . 0.0 109.802 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.6 mt -125.4 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.25 3.1 p90 -98.5 -177.26 3.63 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -177.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.97 -1.86 0.03 OUTLIER Glycine 0 C--N 1.34 0.792 0 CA-C-O 117.983 -1.454 . . . . 0.0 116.474 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 31.22 62.97 0.22 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 127.005 2.241 . . . . 0.0 114.351 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.36 -48.95 0.99 Allowed 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.049 1.34 . . . . 0.0 112.176 -174.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -131.12 -63.38 0.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -169.75 163.38 6.77 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.401 1.88 . . . . 0.0 110.071 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HG2' " H1'" ' B' ' 274' ' ' ' U' . 93.8 Cg_exo -70.64 -169.34 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.617 3.545 . . . . 0.0 115.831 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 tp -149.76 107.03 3.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.101 0.96 . . . . 0.0 109.26 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.52 133.19 47.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.084 0.553 . . . . 0.0 109.712 167.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.82 145.44 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 125.223 1.409 . . . . 0.0 107.591 178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -104.74 106.69 17.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.911 1.684 . . . . 0.0 107.617 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.26 165.8 16.33 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-O 121.967 0.889 . . . . 0.0 111.875 -172.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 125.2 28.92 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.297 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -62.91 -52.51 62.78 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.638 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.03 -32.3 72.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.832 0.742 . . . . 0.0 111.961 -173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -60.98 -75.05 0.07 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.793 -1.099 . . . . 0.0 108.626 167.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.33 -25.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-N 119.626 1.103 . . . . 0.0 113.862 -170.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -62.23 1.72 Allowed 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 125.908 1.683 . . . . 0.0 108.632 170.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.67 -22.88 48.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.45 -67.37 0.79 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.47 -18.83 3.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.506 2.323 . . . . 0.0 112.692 173.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 -1.18 9.42 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 125.715 1.606 . . . . 0.0 112.524 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 161.77 22.84 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.241 1.382 . . . . 0.0 110.603 160.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.06 -20.59 52.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.91 -21.17 57.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.68 1.592 . . . . 0.0 110.918 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 61.1 t80 -70.87 -53.03 16.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.261 -0.899 . . . . 0.0 111.946 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -80.69 -30.69 36.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.004 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -74.94 -39.81 61.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.101 0.96 . . . . 0.0 110.225 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 130.94 53.43 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -167.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.88 148.78 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.834 1.253 . . . . 0.0 113.277 -167.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 34.8 mt -112.87 151.43 30.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.081 1.353 . . . . 0.0 107.879 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -107.49 86.67 2.34 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.15 113.25 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.743 -1.223 . . . . 0.0 109.14 172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.0 t -97.78 90.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 124.786 1.235 . . . . 0.0 108.625 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 30.4 m -84.42 103.83 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 109.537 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 52.66 29.78 7.82 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.09 0.471 . . . . 0.0 111.078 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.98 -0.06 58.91 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 118.63 -1.095 . . . . 0.0 114.676 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -99.41 126.76 45.36 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.316 1.558 . . . . 0.0 107.705 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -104.74 108.15 19.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.283 0.492 . . . . 0.0 110.668 -159.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -111.08 125.77 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 108.714 -168.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -87.86 120.09 28.85 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.518 0.727 . . . . 0.0 110.271 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.0 m -148.51 159.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 113.191 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -131.76 133.33 44.66 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.142 0.977 . . . . 0.0 109.4 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.61 134.53 51.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.296 0.998 . . . . 0.0 111.63 -171.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 -46.17 4.76 Favored 'General case' 0 CA--C 1.527 0.061 0 C-N-CA 125.182 1.393 . . . . 0.0 110.443 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.03 118.11 4.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.5 m -95.48 131.76 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 165.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -99.84 105.63 17.4 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.526 1.93 . . . . 0.0 105.884 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.0 163.85 27.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.273 1.029 . . . . 0.0 109.959 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.69 160.28 80.42 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.185 0.594 . . . . 0.0 110.508 165.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -84.86 -26.03 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.834 3.022 . . . . 0.0 113.289 -172.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -141.85 2.3 1.55 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.626 1.571 . . . . 0.0 112.306 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.18 155.43 67.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 C-N-CA 124.724 1.21 . . . . 0.0 109.15 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -78.77 62.88 8.5 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.739 2.959 . . . . 0.0 108.964 166.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -132.05 -177.81 4.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.632 1.173 . . . . 0.0 109.056 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.5 mt -122.32 156.3 34.17 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 126.278 1.831 . . . . 0.0 108.78 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -117.48 -30.21 5.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.103 1.761 . . . . 0.0 110.808 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -178.69 162.14 1.34 Allowed 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.64 1.576 . . . . 0.0 109.803 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 72.2 mt -144.75 144.54 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -116.28 132.06 56.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.092 2.157 . . . . 0.0 106.61 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.4 157.05 31.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.33 153.61 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -57.58 98.74 0.03 OUTLIER 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.171 0.989 . . . . 0.0 110.943 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.528 -0.748 . . . . 0.0 111.226 161.736 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 111.037 2.837 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.091 -3.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 O4'-C1'-N19 111.541 3.341 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 1 O4'-C1'-N19 113.538 5.338 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 O4'-C1'-N19 115.086 6.886 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 110.808 2.608 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 1 P-O3'-C3' 124.771 4.225 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.448 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.421 1 O4'-C1'-N19 113.825 5.625 . 0.454 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 1 C4'-C3'-C2' 97.827 -4.873 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.672 0 N19-C1'-C2' 108.796 -2.877 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 O4'-C1'-N19 112.995 4.795 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 O4'-C1'-N19 111.439 3.239 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 111.892 3.692 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 1 O4'-C1'-N19 114.318 6.118 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 0 C5'-C4'-C3' 110.14 -3.574 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 O4'-C1'-N19 112.05 3.85 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.76 4.56 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 O4'-C1'-N19 112.732 4.532 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 0 O4'-C1'-N19 112.171 3.971 . 0.464 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 0 O4'-C1'-N19 111.596 3.396 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 2 P-O3'-C3' 127.47 6.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 114.342 6.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 O4'-C1'-N19 111.573 3.373 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 113.752 5.552 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C5'-C4'-C3' 111.711 -2.526 . 0.049 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 1 O4'-C1'-N19 112.878 4.678 . 0.431 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-O4' 113.317 2.941 . 0.37 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C5'-C4'-C3' 110.011 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 111.156 2.956 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 O4'-C1'-N19 112.667 4.467 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 1 O4'-C1'-N19 112.631 4.431 . 0.326 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 1 O4'-C1'-N19 112.442 4.242 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C4'-C3'-C2' 98.778 -3.922 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.242 4.042 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 O4'-C1'-N19 111.158 2.958 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.477 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.438 1 O4'-C1'-N19 114.311 6.111 OUTLIER-EPSILON 0.439 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.477 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.353 1 P-O3'-C3' 127.673 6.644 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 75.34 -31.37 0.2 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 127.541 2.336 . . . . 0.0 114.384 167.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 64.8 109.8 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.664 2.785 . . . . 0.0 113.033 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 81.56 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.138 0.975 . . . . 0.0 108.517 -168.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.479 HD21 ' HB ' ' A' ' 64' ' ' VAL . 2.6 m120 -60.17 117.41 5.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.985 -174.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -125.77 -161.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 107.88 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -157.13 140.02 15.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.55 142.01 17.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-O 121.277 0.561 . . . . 0.0 110.894 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -136.2 157.7 46.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.597 173.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.0 mmpt? -135.11 -0.34 2.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.735 1.214 . . . . 0.0 112.831 169.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.13 14.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.072 1.749 . . . . 0.0 113.517 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -34.0 9.68 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.793 2.037 . . . . 0.0 115.149 -172.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.5 -25.16 0.27 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 127.484 2.469 . . . . 0.0 116.226 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HG3' ' H42' ' B' ' 297' ' ' ' C' . 5.7 mmtp 167.36 -26.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 130.659 3.583 . . . . 0.0 109.225 158.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.46 66.56 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.21 1.386 . . . . 0.0 112.925 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.23 39.97 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -58.43 -27.89 64.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.39 -0.819 . . . . 0.0 111.619 -172.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.21 23.77 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 116.752 -1.594 . . . . 0.0 113.456 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.97 -38.84 31.37 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.414 1.916 . . . . 0.0 110.164 173.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -54.14 44.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.051 0.94 . . . . 0.0 108.609 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -17.48 64.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 118.134 -0.936 . . . . 0.0 113.401 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.72 62.22 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-O 117.803 -1.094 . . . . 0.0 113.419 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.14 -85.78 0.5 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.695 1.134 . . . . 0.0 108.364 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.99 8.25 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 112.295 -170.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -100.1 174.84 5.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.756 1.222 . . . . 0.0 108.366 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CZ ' HG13 ' A' ' 47' ' ' VAL . 2.8 p90 -158.32 153.31 21.39 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -74.04 156.25 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.8 1.667 . . . . 0.0 112.557 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.03 178.09 7.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.058 0.943 . . . . 0.0 110.264 162.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -135.69 154.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 125.29 1.436 . . . . 0.0 109.853 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.0 mt -126.17 97.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -173.37 2.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.32 31.77 45.42 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.927 167.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.04 -101.56 0.74 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 tptt 170.22 -28.91 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.612 2.765 . . . . 0.0 109.18 -166.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.67 35.63 4.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.292 2.237 . . . . 0.0 109.294 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 75.42 167.18 0.12 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 127.399 2.279 . . . . 0.0 112.543 178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 2.6 Cg_endo -95.33 -167.8 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 125.014 3.809 . . . . 0.0 112.127 -169.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -152.56 99.85 2.5 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.233 0.613 . . . . 0.0 110.671 -169.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.69 133.36 46.56 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.26 138.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -86.44 117.93 25.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.366 2.267 . . . . 0.0 108.831 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.53 168.38 19.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 111.648 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.3 133.28 38.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.286 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.79 -53.71 36.67 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.174 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.71 -26.35 65.23 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.544 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -58.52 -76.21 0.04 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 162.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.417 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -57.26 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -63.89 0.97 Allowed 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 126.019 1.727 . . . . 0.0 108.641 168.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -56.61 -20.74 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmt -84.47 -67.96 0.76 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.473 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -57.15 -13.99 3.59 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.375 1.443 . . . . 0.0 113.778 176.47 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.97 -8.33 52.43 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.208 -2.33 . . . . 0.0 115.174 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER -115.98 11.27 15.36 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 122.643 2.474 . . . . 0.0 117.546 -174.092 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.93 -38.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 130.409 3.484 . . . . 0.0 115.062 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -52.56 -14.34 0.49 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 128.742 2.817 . . . . 0.0 112.176 163.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.2 t80 -69.95 -51.63 31.11 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 120.77 -1.206 . . . . 0.0 111.836 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -78.5 -29.2 46.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.087 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 t -80.0 -41.58 25.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.431 1.092 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.42 114.28 21.57 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -168.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.01 143.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.279 2.232 . . . . 0.0 113.419 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' CE2' ' A' ' 56' ' ' PHE . 10.0 mt -109.76 160.59 16.2 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.3 1.04 . . . . 0.0 109.057 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.3 13.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 mm -89.98 106.46 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.12 1.368 . . . . 0.0 107.676 -173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' A' ' 5' ' ' ASN . 36.1 t -94.31 79.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -171.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.76 95.68 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.139 1.376 . . . . 0.0 108.361 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 55.76 26.55 9.62 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.07 0.948 . . . . 0.0 112.508 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 -7.35 30.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.75 1.167 . . . . 0.0 114.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -96.72 121.06 38.15 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 119.223 1.512 . . . . 0.0 108.218 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.67 109.17 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.531 1.132 . . . . 0.0 111.179 -164.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.97 128.87 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -169.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -84.97 123.36 30.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.661 0.784 . . . . 0.0 110.944 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 m -149.94 160.63 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 124.363 1.04 . . . . 0.0 113.771 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -137.22 136.41 38.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.876 1.27 . . . . 0.0 109.532 -178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 152.36 15.55 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.54 -43.94 0.83 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.105 1.362 . . . . 0.0 111.099 171.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -141.15 88.55 2.17 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.5 m -85.39 139.52 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 160.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -121.73 117.98 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 127.023 2.129 . . . . 0.0 106.406 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -86.3 164.76 16.92 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.719 0.807 . . . . 0.0 110.459 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 161.01 55.63 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 123.894 0.878 . . . . 0.0 110.508 169.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -84.17 -6.62 10.23 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.392 2.728 . . . . 0.0 113.627 -171.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -144.28 -57.16 0.37 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.598 1.09 . . . . 0.0 110.735 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -74.32 155.56 87.8 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.274 1.43 . . . . 0.0 109.85 170.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 19.34 0.77 Allowed 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.044 3.162 . . . . 0.0 113.602 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -77.05 -164.26 0.43 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.853 1.661 . . . . 0.0 110.6 -175.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.2 mt -126.81 160.14 31.77 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.592 1.157 . . . . 0.0 110.598 -176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -126.7 -28.44 2.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 111.615 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -170.55 157.77 6.01 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -145.36 146.08 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.691 1.196 . . . . 0.0 109.077 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.04 129.32 47.8 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.887 2.075 . . . . 0.0 106.484 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.06 149.25 41.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 170.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.49 153.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -61.88 91.48 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.327 1.451 . . . . 0.0 110.971 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.592 171.639 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O5'-C5'-C4' 113.581 2.415 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C5'-C4'-C3' 112.429 -2.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 110.786 2.586 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 1 O4'-C1'-N19 113.563 5.363 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 114.736 6.536 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 110.439 2.239 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 P-O3'-C3' 124.287 3.823 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.458 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.394 1 O4'-C1'-N19 113.8 5.6 . 0.226 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 1 C4'-C3'-C2' 98.117 -4.583 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 N19-C1'-C2' 108.048 -3.345 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 2 P-O3'-C3' 124.59 4.075 . 0.314 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . 0.425 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 O4'-C1'-N19 111.127 2.927 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.425 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 111.967 3.767 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 114.855 6.655 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 P-O3'-C3' 123.766 3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 112.166 3.966 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 1 O4'-C1'-N19 113.836 5.636 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 O4'-C1'-N19 112.799 4.599 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.804 1 C3'-C2'-C1' 105.115 4.016 . 0.01 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 P-O3'-C3' 127.318 6.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 98.801 -3.899 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 113.223 5.023 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 100.045 -2.655 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 1 O4'-C1'-N19 115.539 7.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.087 0 O5'-C5'-C4' 114.168 2.834 . 0.073 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.503 ' H42' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 112.859 4.659 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-O4' 113.26 2.9 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . 0.421 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.656 3.456 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 1 O4'-C1'-N19 112.234 4.034 . 0.554 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 O4'-C1'-N19 111.707 3.507 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 1 O4'-C1'-N19 113.115 4.915 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 1 O4'-C1'-N19 112.528 4.328 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 C4'-C3'-C2' 97.861 -4.839 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.096 1 O4'-C1'-N19 112.416 4.216 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 111.609 -2.594 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 O4'-C1'-N19 111.795 3.595 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 O4'-C1'-N19 111.116 2.916 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -56.04 -66.46 0.43 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.653 1.581 . . . . 0.0 111.022 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m 57.49 101.27 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.445 2.298 . . . . 0.0 114.037 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.42 85.21 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -167.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.68 113.79 2.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.55 -161.96 0.85 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.387 1.475 . . . . 0.0 108.127 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.43 137.64 12.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.051 2.14 . . . . 0.0 105.415 170.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.87 143.95 15.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 121.798 -0.564 . . . . 0.0 111.051 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.48 150.21 35.16 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.5 mmpt? -127.19 2.59 6.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.248 1.819 . . . . 0.0 112.196 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.05 7.29 0.57 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.204 2.602 . . . . 0.0 115.588 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -29.84 17.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -162.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.75 43.98 0.01 OUTLIER Glycine 0 CA--C 1.545 1.928 0 C-N-CA 129.726 3.536 . . . . 0.0 117.942 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER 74.82 -19.46 0.38 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 130.674 3.59 . . . . 0.0 111.847 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.08 -68.31 1.75 Allowed Glycine 0 C--N 1.343 0.972 0 C-N-CA 126.357 1.932 . . . . 0.0 111.267 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . . . -56.3 -26.33 51.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.949 1.374 . . . . 0.0 112.332 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -69.92 -35.02 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.779 -0.575 . . . . 0.0 110.218 -171.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.48 -17.85 23.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.94 1.696 . . . . 0.0 112.076 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 mtt85 -78.47 -46.37 19.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.01 1.277 . . . . 0.0 109.984 174.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.25 -51.98 46.51 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.84 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -21.59 66.02 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.993 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -16.51 61.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.36 15.3 13.0 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.343 1.457 . . . . 0.0 112.597 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 66.62 7.93 5.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.953 0.901 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' CG ' ' A' ' 41' ' ' GLU . 14.0 mtmm -84.6 179.14 7.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.106 1.362 . . . . 0.0 107.377 165.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -163.74 154.54 13.73 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -74.09 156.58 47.13 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.481 1.454 . . . . 0.0 111.809 -172.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.36 177.5 8.06 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.648 0.779 . . . . 0.0 110.01 162.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -133.62 154.75 39.22 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 124.688 1.195 . . . . 0.0 109.384 172.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.5 mt -123.73 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.84 -172.91 2.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -168.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.08 79.76 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-O 120.135 -0.259 . . . . 0.0 113.565 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 35' ' ' GLU . . . -67.81 -20.46 72.38 Favored Glycine 0 CA--C 1.504 -0.644 0 CA-C-O 118.214 -1.325 . . . . 0.0 114.639 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 tptt 71.81 -18.12 0.32 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.91 2.484 . . . . 0.0 111.933 -171.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 33' ' ' GLY . 18.1 mm-40 -97.55 -75.2 0.55 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.279 2.232 . . . . 0.0 105.568 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.94 163.96 16.8 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 111.095 166.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HG2' " H1'" ' B' ' 274' ' ' ' U' . 64.7 Cg_exo -72.81 -168.57 0.42 Allowed 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 124.917 3.745 . . . . 0.0 116.138 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tp -154.22 106.45 2.79 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.641 1.177 . . . . 0.0 109.712 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.52 135.85 44.04 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.91 134.56 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 125.808 1.643 . . . . 0.0 107.889 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' CG ' ' HE2' ' A' ' 25' ' ' LYS . 25.4 tt0 -83.93 114.87 21.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.426 2.69 . . . . 0.0 109.102 173.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.49 166.65 20.87 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.601 0.761 . . . . 0.0 111.34 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.57 132.57 41.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.628 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -50.93 48.2 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.335 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -29.07 68.3 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.238 0.472 . . . . 0.0 111.198 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -59.83 -75.31 0.06 Allowed 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 166.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.0 p -57.81 -26.63 28.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -168.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 tpp -50.61 -62.49 1.57 Allowed 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.822 0.849 . . . . 0.0 108.878 170.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.22 -22.48 41.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -81.25 -66.64 0.86 Allowed 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.11 -17.76 3.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.539 2.336 . . . . 0.0 112.832 173.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.11 -5.99 30.83 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 125.401 1.481 . . . . 0.0 112.474 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 157.24 34.92 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.334 1.425 . . . . 0.0 110.198 166.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -21.03 61.62 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.629 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.38 -23.59 50.11 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.54 1.536 . . . . 0.0 111.55 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 50.2 t80 -71.96 -52.97 14.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.321 -0.862 . . . . 0.0 111.994 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -76.27 -30.07 57.67 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 t -80.71 -40.53 25.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.27 1.028 . . . . 0.0 110.766 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.17 120.61 33.72 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -166.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -51.46 146.86 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.081 1.752 . . . . 0.0 114.416 -166.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.4 mt -109.86 158.22 18.4 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.008 1.723 . . . . 0.0 107.493 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -115.98 98.99 6.95 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mm -76.55 110.89 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 121.384 -0.822 . . . . 0.0 108.951 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.73 81.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.85 96.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.232 0 C-N-CA 125.675 1.59 . . . . 0.0 108.364 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t70 55.19 27.84 10.21 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.932 0.893 . . . . 0.0 112.29 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.38 -2.3 37.22 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 118.476 -1.18 . . . . 0.0 114.697 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -100.72 124.75 46.79 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.498 1.649 . . . . 0.0 107.988 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.32 108.01 19.07 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.709 0.804 . . . . 0.0 110.832 -159.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.89 126.57 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -166.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -83.57 124.62 30.95 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 122.932 0.493 . . . . 0.0 110.214 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -153.83 162.37 2.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 O-C-N 124.852 1.345 . . . . 0.0 111.733 176.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -148.03 142.74 26.65 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 122.055 -0.403 . . . . 0.0 110.247 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 128.75 37.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.787 -170.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -115.64 -18.49 10.86 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.166 0.916 . . . . 0.0 111.707 167.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -151.36 98.64 2.56 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -95.24 144.93 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 162.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.97 112.11 20.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 126.366 1.866 . . . . 0.0 106.382 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -81.83 164.59 21.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.97 1.308 . . . . 0.0 110.804 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.85 66.22 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.139 0.576 . . . . 0.0 110.677 162.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -83.88 -25.69 2.26 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.919 3.08 . . . . 0.0 113.218 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 10.68 0.86 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.048 0.939 . . . . 0.0 112.697 -176.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -123.45 157.56 61.47 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 125.144 1.377 . . . . 0.0 108.862 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.23 55.15 5.25 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.113 3.208 . . . . 0.0 109.739 167.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -126.46 -176.11 3.58 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.612 1.165 . . . . 0.0 109.312 -175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.9 mt -127.94 159.88 33.58 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 125.763 1.625 . . . . 0.0 108.044 -175.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.22 -25.26 4.9 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.426 1.49 . . . . 0.0 110.708 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -177.82 158.33 1.28 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 110.228 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.3 mt -143.77 148.73 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 124.116 0.966 . . . . 0.0 108.772 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.43 117.42 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.406 2.282 . . . . 0.0 106.435 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.52 140.98 39.67 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.34 148.29 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-N 119.393 0.997 . . . . 0.0 108.943 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -59.85 91.94 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.474 1.91 . . . . 0.0 110.629 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.772 -1.585 . . . . 0.0 111.474 169.517 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 1 C4'-C3'-C2' 98.693 -4.007 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 P-O3'-C3' 124.997 4.414 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 P-O3'-C3' 122.67 2.475 . 0.354 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 1 O4'-C1'-N19 112.713 4.513 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 O4'-C1'-N19 114.114 5.914 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-O4' 112.299 2.213 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C5'-C4'-C3' 112.117 -2.255 . 0.789 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.418 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.426 1 O4'-C1'-N19 113.391 5.191 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 P-O3'-C3' 124.144 3.703 . 0.093 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.736 0 C3'-C2'-C1' 104.246 3.052 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 2 O4'-C1'-N19 112.772 4.572 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . 0.418 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.579 3.379 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 112.103 3.903 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 1 O4'-C1'-N19 114.822 6.622 . 0.402 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.905 -4.397 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 O4'-C1'-N19 112.326 4.126 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.916 3.716 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 C5'-C4'-C3' 109.747 -3.836 . 0.509 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.359 -2.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.475 0 O5'-C5'-C4' 114.485 3.06 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.91 2 P-O3'-C3' 126.695 5.829 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 O4'-C1'-N19 111.488 3.288 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C1'-N19 111.548 3.348 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 O4'-C1'-N19 113.047 4.847 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O5'-C5'-C4' 112.976 1.983 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.672 4.472 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C5'-C4'-O4' 113.25 2.893 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . 0.418 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 O3'-P-O5' 97.887 -3.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.775 3.575 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 112.05 3.85 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 O4'-C1'-N19 113.227 5.027 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 1 O4'-C1'-N19 112.563 4.363 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C3'-C2'-C1' 104.399 3.221 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.488 4.288 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.356 3.156 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.557 3.357 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 110.946 2.746 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 76.48 -31.56 0.19 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 127.559 2.344 . . . . 0.0 113.755 165.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.0 m 68.0 108.31 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.35 2.66 . . . . 0.0 112.317 170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.49 83.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 -169.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.521 HD21 ' HB ' ' A' ' 64' ' ' VAL . 1.9 m120 -59.84 117.97 5.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.082 0.553 . . . . 0.0 109.543 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.95 -161.19 0.94 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.724 1.61 . . . . 0.0 108.082 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.4 139.96 13.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.858 2.063 . . . . 0.0 106.143 167.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 m -63.21 134.37 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 O-C-N 121.62 -0.675 . . . . 0.0 111.118 -176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -127.64 156.78 41.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.747 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.7 mmpt? -134.83 -2.88 2.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.264 1.426 . . . . 0.0 113.061 167.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.23 12.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.903 2.481 . . . . 0.0 115.127 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -34.59 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -172.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.97 -16.87 0.05 OUTLIER Glycine 0 CA--C 1.532 1.144 0 C-N-CA 128.12 2.771 . . . . 0.0 117.591 -174.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG3' ' H42' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 160.89 -34.16 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 1 C-N-CA 132.402 4.281 . . . . 0.0 107.805 159.643 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.83 -33.32 49.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.14 1.829 . . . . 0.0 113.988 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -51.24 12.76 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.439 1.12 . . . . 0.0 110.385 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 m -58.37 -23.52 57.22 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.34 -0.85 . . . . 0.0 112.526 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -36.23 14.2 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 126.223 1.809 . . . . 0.0 112.688 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.86 -40.56 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 121.445 1.929 . . . . 0.0 110.399 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.62 -59.52 5.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.764 1.226 . . . . 0.0 109.944 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -64.46 -19.15 65.38 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.505 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -15.45 60.24 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.95 -92.84 0.22 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 167.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -165.74 9.92 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.769 2.427 . . . . 0.0 111.164 169.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -75.31 174.37 9.63 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.796 1.639 . . . . 0.0 108.471 174.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CZ ' HG13 ' A' ' 47' ' ' VAL . 3.6 p90 -159.35 151.74 17.62 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.75 158.91 49.61 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.144 1.229 . . . . 0.0 113.347 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.71 179.41 7.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.253 1.021 . . . . 0.0 110.631 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.46 160.81 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 124.546 1.138 . . . . 0.0 109.394 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mt -131.14 95.26 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -113.87 -179.68 3.7 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -171.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.16 23.5 63.3 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.07 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.0 -86.33 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -167.49 -55.67 0.03 OUTLIER 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 124.772 1.229 . . . . 0.0 107.786 161.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.25 -48.65 11.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.122 0.969 . . . . 0.0 109.81 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.05 163.76 18.46 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.958 0.903 . . . . 0.0 111.987 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 5.6 Cg_endo -92.36 -167.82 0.2 Allowed 'Trans proline' 0 CA--C 1.543 0.926 1 C-N-CA 125.935 4.423 . . . . 0.0 111.8 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -152.44 102.31 2.73 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.651 0.78 . . . . 0.0 109.799 -171.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.32 133.83 43.98 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -140.61 127.44 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -174.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.48 122.8 26.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.378 2.671 . . . . 0.0 109.432 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.34 169.33 17.87 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.84 0.829 . . . . 0.0 113.122 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.28 131.69 39.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.757 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.09 -51.25 62.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.224 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.43 -40.71 78.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.294 0.497 . . . . 0.0 111.392 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.04 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 3.5 p -55.29 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 tpp -49.94 -63.37 1.13 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.033 1.333 . . . . 0.0 108.787 172.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.39 -19.58 48.2 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.71 -69.3 0.65 Allowed 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.54 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -51.66 -19.89 1.78 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.871 2.868 . . . . 0.0 113.896 176.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.61 -19.46 26.17 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.377 1.471 . . . . 0.0 113.028 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.75 45.44 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-O 121.402 0.62 . . . . 0.0 112.384 -171.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.22 75.12 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.065 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -5.64 36.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.882 1.673 . . . . 0.0 111.911 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 17.7 t80 -82.16 -53.63 5.92 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.725 167.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -69.36 -32.22 71.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 118.134 -1.426 . . . . 0.0 110.924 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -82.79 -34.58 26.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.682 1.193 . . . . 0.0 111.963 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.09 115.1 22.46 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.526 1.057 . . . . 0.0 108.17 -166.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.14 142.2 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 127.35 2.26 . . . . 0.0 113.346 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD13 ' CE2' ' A' ' 56' ' ' PHE . 10.2 mt -114.33 156.1 25.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.485 1.114 . . . . 0.0 108.9 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -110.25 99.63 8.64 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mm -78.45 107.67 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 121.026 -1.046 . . . . 0.0 108.425 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.521 ' HB ' HD21 ' A' ' 5' ' ' ASN . 40.0 t -91.92 84.74 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 -177.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 m -76.71 97.84 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.43 29.83 17.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.88 0.372 . . . . 0.0 111.787 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.93 -3.46 52.29 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.696 -1.058 . . . . 0.0 114.485 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -102.43 123.1 45.59 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.114 1.457 . . . . 0.0 109.258 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.24 110.58 23.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.953 0.901 . . . . 0.0 111.084 -162.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.5 131.9 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -172.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 12.2 mmtm -88.23 129.31 35.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.65 1.18 . . . . 0.0 110.756 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 24.1 m -153.95 160.31 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.671 1.988 . . . . 0.0 111.091 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -131.89 132.78 43.93 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.854 0.862 . . . . 0.0 109.315 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.05 134.12 56.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.388 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -113.68 -31.56 6.43 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.946 0.779 . . . . 0.0 112.153 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -155.22 109.39 2.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.085 1.354 . . . . 0.0 107.489 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.9 m -97.01 146.15 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 164.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.12 115.67 20.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -80.03 166.1 21.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.198 0.999 . . . . 0.0 111.439 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.7 161.14 47.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 122.994 0.518 . . . . 0.0 110.808 163.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.55 -26.27 3.29 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.403 2.736 . . . . 0.0 113.38 -173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -139.67 -6.68 1.3 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.195 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -114.74 155.72 45.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 124.769 1.227 . . . . 0.0 109.055 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 56.79 5.81 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.893 3.062 . . . . 0.0 110.154 171.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -124.81 -170.77 2.22 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 125.146 1.378 . . . . 0.0 109.949 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 mt -129.04 144.29 51.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.163 1.785 . . . . 0.0 108.083 -175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.92 -32.37 11.35 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.044 1.738 . . . . 0.0 110.241 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -176.46 157.94 1.74 Allowed 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.29 1.436 . . . . 0.0 109.091 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 80.1 mt -145.9 148.84 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -119.29 156.44 29.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 164.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.74 157.16 39.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 165.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.39 143.61 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -56.3 95.86 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.464 1.906 . . . . 0.0 112.796 -164.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.427 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.254 1.327 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.711 166.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 112.948 4.748 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 O4'-C1'-N19 111.17 2.97 . 0.208 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 O4'-C1'-N19 111.316 3.116 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 112.82 4.62 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 1 O4'-C1'-N19 114.039 5.839 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C5'-C4'-O4' 112.339 2.242 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 C5'-C4'-C3' 111.868 -2.422 . 0.813 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.451 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.327 1 O4'-C1'-N19 113.401 5.201 . 0.468 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 1 C4'-C3'-C2' 98.54 -4.16 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 N19-C1'-C2' 108.18 -3.262 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 2 O4'-C1'-N19 113.021 4.821 . 0.223 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . 0.404 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 110.87 2.67 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.822 3.622 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 O4'-C1'-N19 114.785 6.585 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O5'-C5'-C4' 114.61 3.15 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 O4'-C1'-N19 111.905 3.705 . 0.262 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.257 5.057 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 113.006 4.806 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 O4'-C1'-N19 111.11 2.91 . 0.392 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 O4'-C1'-N19 112.207 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C1'-N19 112.891 4.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 1 O4'-C1'-N19 112.926 4.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 110.589 2.389 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C1'-N19 113.33 5.13 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 99.775 -2.925 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.411 ' H42' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.975 1 O4'-C1'-N19 112.615 4.415 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.55 0 P-O3'-C3' 124.223 3.769 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . 0.404 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O3'-P-O5' 98.626 -2.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.85 3.65 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 112.39 4.19 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 1 O4'-C1'-N19 112.614 4.414 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 1 O4'-C1'-N19 112.637 4.437 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C3'-C2'-C1' 104.763 3.625 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.318 4.118 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C4'-C3'-C2' 99.631 -3.069 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 113.685 5.485 OUTLIER-EPSILON 0.648 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.419 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.6 3 P-O3'-C3' 125.553 4.877 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HE2' ' HE3' ' A' ' 71' ' ' LYS . 3.6 ptm . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.394 0.14 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 47.54 47.14 17.61 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.021 -1.674 . . . . 0.0 110.512 -158.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -84.77 127.98 34.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 128.421 2.689 . . . . 0.0 108.015 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.56 81.35 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -168.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.483 HD21 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -62.25 116.17 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.306 1.042 . . . . 0.0 109.368 -170.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.48 -161.39 0.94 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.426 1.09 . . . . 0.0 108.533 -177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -154.46 140.63 18.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.4 139.43 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.913 0.387 . . . . 0.0 110.221 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.34 145.36 37.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.061 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -125.44 3.03 7.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.865 0.866 . . . . 0.0 112.826 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.17 15.1 1.24 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.377 1.871 . . . . 0.0 113.023 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.0 33.5 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.149 2.18 . . . . 0.0 115.863 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.56 22.64 0.03 OUTLIER Glycine 0 CA--C 1.543 1.835 0 C-N-CA 128.242 2.829 . . . . 0.0 118.628 -171.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HG3' ' H42' ' B' ' 297' ' ' ' C' . 0.4 OUTLIER 124.86 -30.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 136.993 6.117 . . . . 0.0 109.802 168.902 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.3 98.31 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.438 1.018 . . . . 0.0 113.145 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.48 54.83 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 117.815 0.807 . . . . 0.0 111.222 172.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -60.44 -27.25 67.36 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.613 -0.679 . . . . 0.0 111.434 -173.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -35.0 16.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.062 -1.447 . . . . 0.0 111.645 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -73.65 -39.66 64.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 121.092 1.769 . . . . 0.0 109.604 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -56.23 17.67 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.818 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.977 0.808 . . . . 0.0 111.665 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.28 -11.62 60.32 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.5 13.57 8.78 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.474 1.51 . . . . 0.0 112.852 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 64.68 10.98 6.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.521 0.728 . . . . 0.0 112.949 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -82.41 174.64 10.91 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 163.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.78 154.93 17.52 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.81 161.43 45.96 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.08 1.853 . . . . 0.0 113.915 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.46 7.14 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.936 160.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 tp -138.28 153.81 27.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.721 1.608 . . . . 0.0 110.424 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.3 mt -131.71 110.14 16.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 126.574 1.95 . . . . 0.0 105.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -132.12 178.56 6.7 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.02 11.48 0.02 OUTLIER Glycine 0 C--N 1.339 0.714 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.28 -165.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.76 -86.09 0.01 OUTLIER Glycine 0 C--N 1.341 0.83 0 C-N-CA 126.96 2.219 . . . . 0.0 114.021 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.53 1.532 . . . . 0.0 112.558 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -84.86 -11.53 55.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.32 1.048 . . . . 0.0 111.749 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.67 178.76 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 127.373 2.269 . . . . 0.0 112.273 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -103.75 165.96 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.706 2.271 . . . . 0.0 113.502 -163.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.67 100.72 1.95 Allowed 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.323 1.049 . . . . 0.0 109.653 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.16 139.54 50.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.032 -0.418 . . . . 0.0 110.161 174.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.68 146.4 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 C-N-CA 125.3 1.44 . . . . 0.0 107.875 178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.66 115.91 31.34 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 128.589 2.756 . . . . 0.0 108.779 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.76 169.4 17.4 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.323 0.649 . . . . 0.0 111.835 -176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.25 132.23 39.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.768 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -52.0 46.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.687 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.52 -27.39 67.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.106 0.866 . . . . 0.0 112.194 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -61.2 -81.81 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.42 1.088 . . . . 0.0 108.829 164.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.62 -28.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 tpt -48.37 -66.47 0.4 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 125.726 1.61 . . . . 0.0 110.394 166.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.53 -20.55 5.09 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 172.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -87.2 -65.37 1.02 Allowed 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 117.778 -1.106 . . . . 0.0 108.197 -173.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.53 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.1 pp0? -60.74 -8.28 2.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 121.45 1.932 . . . . 0.0 113.656 173.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 1.83 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.096 1.358 . . . . 0.0 112.216 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 156.78 41.92 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.607 1.549 . . . . 0.0 109.498 160.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.56 62.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.907 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.42 -18.13 48.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.948 2.099 . . . . 0.0 112.2 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 52.4 t80 -75.76 -47.16 27.07 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 122.498 1.142 . . . . 0.0 111.788 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -70.31 -37.71 74.81 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.249 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -80.94 -51.64 8.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.745 1.618 . . . . 0.0 109.93 -174.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.65 123.98 49.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.77 146.5 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.331 1.452 . . . . 0.0 111.991 -165.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 56' ' ' PHE . 29.1 mt -106.24 152.87 22.95 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 125.869 1.668 . . . . 0.0 108.414 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 m -111.99 100.65 9.05 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.709 0.686 . . . . 0.0 109.475 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mm -78.37 110.54 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 120.985 -1.072 . . . . 0.0 108.707 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.483 ' HB ' HD21 ' A' ' 5' ' ' ASN . 47.3 t -93.38 82.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 m -74.06 96.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.771 1.628 . . . . 0.0 107.784 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 56.85 25.95 11.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.749 0.82 . . . . 0.0 112.448 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.23 34.07 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.767 1.175 . . . . 0.0 114.497 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -97.49 122.85 41.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.167 1.483 . . . . 0.0 108.18 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.34 109.58 22.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.768 0.827 . . . . 0.0 111.114 -162.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.97 125.16 70.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -169.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HE3' ' HE2' ' A' ' 1' ' ' MET . 13.6 mmtm -83.81 122.54 28.82 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.317 0.647 . . . . 0.0 110.74 176.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.9 m -152.2 161.32 3.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 O-C-N 124.464 1.103 . . . . 0.0 112.277 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.39 143.6 31.71 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.693 -0.63 . . . . 0.0 109.79 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.55 118.48 20.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.831 -163.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.86 -14.09 14.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.388 1.055 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -158.13 103.69 1.85 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.511 1.524 . . . . 0.0 108.102 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 17.4 m -98.41 137.35 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 161.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -107.4 109.28 20.97 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.975 1.71 . . . . 0.0 106.851 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -78.32 161.43 27.22 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.652 0.781 . . . . 0.0 109.94 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.29 159.96 77.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.143 0.577 . . . . 0.0 110.533 168.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.15 -27.25 1.57 Allowed 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 123.741 2.96 . . . . 0.0 113.263 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -144.42 7.3 1.32 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.252 1.421 . . . . 0.0 112.145 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -125.53 156.11 71.05 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.177 1.391 . . . . 0.0 109.03 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.52 63.17 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.818 3.012 . . . . 0.0 109.152 167.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -133.51 -176.28 4.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.698 1.199 . . . . 0.0 109.801 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.1 mt -124.49 156.72 36.8 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.135 1.774 . . . . 0.0 108.712 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -117.16 -32.56 4.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.686 1.594 . . . . 0.0 110.089 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.4 ' CD2' " H4'" ' B' ' 276' ' ' ' G' . 31.0 t-80 -177.34 158.06 1.4 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.783 1.633 . . . . 0.0 109.899 -177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 86.9 mt -142.83 144.47 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.001 0.92 . . . . 0.0 108.606 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.22 134.04 55.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.276 2.23 . . . . 0.0 105.973 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -122.12 151.73 40.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 167.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.76 150.5 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 93.99 0.02 OUTLIER 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.862 1.665 . . . . 0.0 110.52 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 116.337 -1.792 . . . . 0.0 112.365 169.726 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C3'-C2'-C1' 104.949 3.832 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 C3'-C2'-C1' 104.287 3.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.541 4.341 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 1 O4'-C1'-N19 114.19 5.99 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C3'-C2'-C1' 104.474 3.304 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.912 3 P-O3'-C3' 124.892 4.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.561 1 O4'-C1'-N19 112.757 4.557 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 C4'-C3'-C2' 97.914 -4.786 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.4 " H4'" ' CD2' ' A' ' 88' ' ' HIS . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 N19-C1'-C2' 106.994 -4.004 . 0.353 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 2 O4'-C1'-N19 113.304 5.104 . 0.255 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.338 3.138 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 110.729 2.529 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 O4'-C1'-N19 113.789 5.589 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-C3' 109.703 -3.864 . 0.036 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 O4'-C1'-N19 112.31 4.11 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 1 O4'-C1'-N19 112.484 4.284 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 O4'-C1'-N19 111.043 2.843 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.852 3.652 . 0.709 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 C5'-C4'-C3' 109.23 -4.18 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 N19-C1'-C2' 120.299 4.312 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.665 3.465 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 O4'-C1'-N19 112.146 3.946 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 1 O4'-C1'-N19 112.834 4.634 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.711 3.511 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.452 ' H42' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.77 1 O4'-C1'-N19 113.488 5.288 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C5'-C4'-O4' 113.061 2.758 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 O4'-C1'-N19 114.815 6.615 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 O4'-C1'-N19 113.582 5.382 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.694 0 O4'-C1'-N19 110.845 2.645 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.79 1 O4'-C1'-N19 112.249 4.049 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.298 4.098 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.386 -3.314 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 110.697 2.497 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C4'-C3'-C2' 100.088 -2.612 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 112.277 4.077 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 O4'-C1'-N19 111.46 3.26 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ptm . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.35 -60.35 3.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.788 1.235 . . . . 0.0 110.767 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.41 HG22 ' HB ' ' A' ' 62' ' ' THR . 3.7 m 65.43 120.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.116 2.566 . . . . 0.0 113.82 168.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.36 79.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 123.891 0.876 . . . . 0.0 109.29 -165.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.75 123.95 18.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -174.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.95 -166.2 1.72 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.045 1.338 . . . . 0.0 110.162 -174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -154.83 109.14 2.96 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.472 1.509 . . . . 0.0 109.775 -168.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.7 m -55.3 112.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.171 0.51 . . . . 0.0 110.489 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.07 139.14 53.21 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.197 -171.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 9.9 mmpt? -126.31 3.27 7.04 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.86 0.725 . . . . 0.0 112.919 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.74 16.61 0.37 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.876 2.07 . . . . 0.0 112.915 -174.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -69.05 0.15 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 126.129 1.772 . . . . 0.0 113.56 -158.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 10.04 -76.01 0.0 OUTLIER Glycine 0 C--N 1.342 0.912 1 C-N-CA 131.185 4.231 . . . . 0.0 115.541 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -155.69 -17.87 0.11 Allowed 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.519 -0.989 . . . . 0.0 110.125 159.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.86 -42.82 80.75 Favored Glycine 0 C--N 1.346 1.127 0 C-N-CA 126.317 1.913 . . . . 0.0 112.799 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -50.29 71.54 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.054 1.427 . . . . 0.0 110.222 173.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -62.61 -16.48 56.8 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.454 0.702 . . . . 0.0 112.584 -170.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -28.53 12.91 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.146 -1.407 . . . . 0.0 113.689 177.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -71.62 -37.18 70.93 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.038 1.744 . . . . 0.0 109.567 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -58.13 6.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.544 1.138 . . . . 0.0 109.682 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -58.92 -28.71 66.47 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 118.594 0.634 . . . . 0.0 111.98 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.89 -23.04 63.19 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.7 16.45 17.46 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.824 1.249 . . . . 0.0 111.984 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.95 11.89 7.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.533 0.733 . . . . 0.0 112.824 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.4 mtmm -85.26 175.06 9.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 167.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -160.44 152.06 16.41 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.82 159.3 48.64 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.464 1.443 . . . . 0.0 113.159 -169.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 177.44 8.85 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.34 1.056 . . . . 0.0 110.568 164.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.8 tp -134.85 156.14 39.42 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 C-N-CA 124.756 1.223 . . . . 0.0 109.397 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.1 mt -125.3 80.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 104.442 -2.429 . . . . 0.0 104.442 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -88.82 -176.03 5.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.302 0.376 . . . . 0.0 110.423 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.57 4.28 0.05 OUTLIER Glycine 0 C--N 1.337 0.608 0 CA-C-O 117.205 -1.886 . . . . 0.0 116.463 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 34.38 60.49 0.6 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.659 2.076 . . . . 0.0 114.046 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -147.27 -49.74 0.18 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.065 0.946 . . . . 0.0 111.152 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -130.97 13.87 5.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.236 1.415 . . . . 0.0 112.139 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.44 152.84 0.12 Allowed Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.881 2.472 . . . . 0.0 111.719 -165.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -59.91 -179.75 0.24 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 124.232 3.288 . . . . 0.0 117.228 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.05 103.65 3.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.34 138.29 53.61 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.77 141.04 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 3.1 tt0 -104.1 111.19 23.67 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.07 1.748 . . . . 0.0 107.578 -168.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -129.19 166.1 20.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.605 0.762 . . . . 0.0 112.511 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.69 132.73 45.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.957 0.903 . . . . 0.0 109.491 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -70.62 -50.71 34.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.923 -0.561 . . . . 0.0 109.935 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.09 -28.41 68.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.5 0.591 . . . . 0.0 111.335 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.94 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.347 0.466 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 163.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -54.18 -26.97 16.03 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -167.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -63.24 1.16 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.147 1.779 . . . . 0.0 109.653 169.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -56.64 -21.87 30.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.704 1.138 . . . . 0.0 113.867 173.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.1 mmm -85.18 -65.88 0.96 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.458 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.17 -8.49 3.61 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 121.104 1.774 . . . . 0.0 113.885 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -1.04 17.73 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.792 1.637 . . . . 0.0 112.256 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 157.5 37.16 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.574 1.533 . . . . 0.0 109.94 159.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.68 60.1 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -57.25 -20.28 26.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.437 1.895 . . . . 0.0 111.273 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 76.1 t80 -68.33 -56.09 9.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.907 -1.121 . . . . 0.0 111.697 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -77.36 -28.24 52.88 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.607 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -76.54 -50.23 14.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.844 1.258 . . . . 0.0 110.211 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.78 103.43 12.51 Favored 'General case' 0 C--N 1.344 0.336 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -161.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -40.53 124.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 128.074 2.55 . . . . 0.0 113.323 -170.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 63.6 mt -88.8 151.75 22.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.797 1.239 . . . . 0.0 107.712 -171.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.41 ' HB ' HG22 ' A' ' 3' ' ' THR . 4.4 m -109.76 99.33 8.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.1 108.86 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.01 82.8 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 m -75.87 97.75 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 C-N-CA 126.423 1.889 . . . . 0.0 106.234 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.21 23.88 9.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.523 0.729 . . . . 0.0 112.265 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.94 -10.35 29.56 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.771 -1.016 . . . . 0.0 114.673 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -97.93 128.94 44.83 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.047 1.423 . . . . 0.0 109.108 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -97.59 110.81 23.3 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.503 0.721 . . . . 0.0 111.518 -163.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.7 128.97 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -170.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -88.75 126.04 35.15 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.19 0.996 . . . . 0.0 110.775 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.3 m -152.49 161.11 2.95 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 C-N-CA 125.786 1.635 . . . . 0.0 111.088 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -133.26 134.06 43.45 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.625 0.77 . . . . 0.0 109.525 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 139.86 57.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.349 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -118.17 -43.24 2.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.966 0.906 . . . . 0.0 110.448 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -146.75 105.74 3.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.4 m -89.96 143.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 161.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.06 114.49 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 -79.08 162.17 26.04 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.213 0.53 . . . . 0.0 110.092 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 160.62 70.55 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 123.79 0.836 . . . . 0.0 110.58 170.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.28 -7.7 9.91 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.291 2.661 . . . . 0.0 113.333 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -143.48 -57.46 0.4 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.617 1.099 . . . . 0.0 111.039 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' H ' ' HG2' ' A' ' 83' ' ' LYS . 14.7 ptmt -78.63 158.0 76.41 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.228 1.811 . . . . 0.0 109.766 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.54 16.18 1.11 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.694 2.93 . . . . 0.0 114.347 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.86 -169.76 0.5 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.381 1.472 . . . . 0.0 111.566 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.57 155.25 35.43 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 126.875 2.07 . . . . 0.0 108.776 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.0 -37.3 7.01 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.931 1.692 . . . . 0.0 110.155 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -178.5 157.74 1.02 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.872 1.669 . . . . 0.0 108.934 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.9 mt -144.48 148.22 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -122.38 154.21 38.0 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.599 0.76 . . . . 0.0 109.128 168.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.99 148.02 50.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.26 144.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.53 99.66 0.04 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.425 1.49 . . . . 0.0 110.089 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.271 168.176 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 100.407 -2.293 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 2 O4'-C1'-N19 114.363 6.163 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O5'-C5'-C4' 114.924 3.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 O4'-C1'-N19 112.888 4.688 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 114.833 6.633 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 112.515 2.368 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.506 -2.663 . 0.538 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 1 O4'-C1'-N19 113.075 4.875 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 P-O3'-C3' 123.704 3.337 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . 0.475 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.649 0 C4'-C3'-C2' 99.67 -3.03 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 2 O4'-C1'-N19 112.853 4.653 . 0.721 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.634 3.434 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.982 3.782 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 1 O4'-C1'-N19 115.506 7.306 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.535 0 P-O3'-C3' 123.636 3.28 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 111.808 3.608 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 1 O4'-C1'-N19 112.811 4.611 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.504 1 O4'-C1'-N19 114.038 5.838 . 0.102 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . 0.404 " H2'" ' C5 ' ' B' ' 291' ' ' ' C' . . . . . . . . 1 P--O5' 1.634 4.057 1 O5'-C5'-C4' 116.465 4.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . 0.404 ' C5 ' " H2'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 P--O5' 1.622 2.921 2 O4'-C1'-N19 115.442 7.242 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 2 P-O3'-C3' 126.486 5.655 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 1 O4'-C1'-N19 114.847 6.647 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 111.499 3.299 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 O4'-C1'-N19 113.512 5.312 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O5'-C5'-C4' 113.676 2.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 1 O4'-C1'-N19 113.548 5.348 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C5'-C4'-O4' 113.232 2.88 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.508 3.308 . 0.231 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O4'-C1'-N19 111.693 3.493 . 0.082 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 1 O4'-C1'-N19 112.268 4.068 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.435 4.235 . 0.355 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 113.292 5.092 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 C4'-C3'-C2' 99.416 -3.284 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 0 O4'-C1'-N19 111.675 3.475 . 0.278 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.604 3.404 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 O4'-C1'-N19 113.924 5.724 OUTLIER-EPSILON 0.615 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.448 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.673 2 P-O3'-C3' 126.439 5.616 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptm . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 58.43 -83.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.015 1.326 . . . . 0.0 108.44 -157.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m 67.46 103.77 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.168 2.987 . . . . 0.0 112.073 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.72 82.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -166.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.04 115.32 3.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.64 -161.87 0.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.926 1.69 . . . . 0.0 108.095 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.1 139.72 12.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.777 2.031 . . . . 0.0 106.217 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.12 141.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 123.394 0.678 . . . . 0.0 111.976 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 149.57 35.55 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.6 mmpt? -131.21 -5.72 3.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.264 1.825 . . . . 0.0 113.52 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -69.92 15.54 0.08 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.271 2.628 . . . . 0.0 114.943 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -32.97 17.72 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 -169.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.74 -3.92 0.02 OUTLIER Glycine 0 CA--C 1.546 1.992 0 C-N-CA 128.396 2.903 . . . . 0.0 118.648 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 136.41 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.809 5.244 . . . . 0.0 110.451 166.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.51 -46.4 92.04 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.285 0.948 . . . . 0.0 112.571 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.55 93.82 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 121.989 0.9 . . . . 0.0 109.889 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -27.37 67.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.727 0.811 . . . . 0.0 111.308 -167.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -43.45 12.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 116.498 -1.715 . . . . 0.0 111.419 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.24 -35.6 79.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.563 1.983 . . . . 0.0 111.577 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -59.06 3.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.034 -175.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -65.11 -18.56 65.4 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.074 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.31 60.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 171.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.31 19.21 11.43 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.526 1.53 . . . . 0.0 112.118 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.84 6.21 4.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.143 0.977 . . . . 0.0 113.44 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -84.47 176.87 8.37 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.535 1.134 . . . . 0.0 108.577 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -159.66 152.43 17.96 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.2 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.888 1.725 . . . . 0.0 112.07 -173.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.55 179.94 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 110.676 163.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.415 ' HB ' " H1'" ' B' ' 275' ' ' ' G' . 10.1 tp -139.0 156.8 28.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 124.64 1.176 . . . . 0.0 109.928 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.1 mt -126.22 88.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 174.34 6.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -172.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.74 103.2 0.66 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -158.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.84 58.8 1.74 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.858 1.218 . . . . 0.0 111.699 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -138.45 -48.46 0.53 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 130.464 3.506 . . . . 0.0 109.306 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.01 -6.67 13.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.328 1.451 . . . . 0.0 112.119 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.84 151.94 0.12 Allowed Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 126.868 2.067 . . . . 0.0 109.273 -158.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -72.2 176.9 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 N-CA-C 115.153 1.174 . . . . 0.0 115.153 -167.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -146.8 101.63 3.46 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.613 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.56 135.36 45.57 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.42 132.58 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.894 1.677 . . . . 0.0 107.626 -174.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.62 118.84 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 127.993 2.517 . . . . 0.0 108.614 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.99 166.33 23.91 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.793 0.806 . . . . 0.0 110.881 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 131.99 39.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.374 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.86 -49.52 74.55 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 123.595 0.758 . . . . 0.0 109.67 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.56 -36.49 82.84 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.53 0.604 . . . . 0.0 111.845 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -74.28 0.07 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 170.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.7 p -58.87 -26.4 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -169.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -61.07 2.38 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.524 1.53 . . . . 0.0 108.109 171.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -57.42 -23.84 51.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.687 1.131 . . . . 0.0 113.972 173.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 mmt -81.01 -68.79 0.66 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 119.073 0.851 . . . . 0.0 109.758 -174.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.524 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.82 -7.03 3.12 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.758 1.163 . . . . 0.0 113.583 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 -3.96 23.55 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 125.035 1.334 . . . . 0.0 112.613 172.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 159.21 33.78 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.38 1.446 . . . . 0.0 110.831 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.95 60.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.11 -20.89 28.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.281 1.432 . . . . 0.0 111.783 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 75.4 t80 -71.51 -51.87 21.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.191 -0.943 . . . . 0.0 112.179 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -81.7 -29.05 33.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.674 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 t -85.22 -22.89 28.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.707 1.203 . . . . 0.0 111.847 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 127.61 34.62 Favored 'General case' 0 C--N 1.343 0.309 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -175.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.04 145.47 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 126.001 1.72 . . . . 0.0 112.931 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD11 ' CE2' ' A' ' 56' ' ' PHE . 19.7 mt -113.02 157.09 21.97 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 107.831 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 m -110.27 99.56 8.59 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mm -74.77 111.35 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 O-C-N 120.864 -1.148 . . . . 0.0 108.562 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.4 84.65 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 18.6 m -75.5 99.94 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.271 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 55.78 30.29 15.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 118.267 0.485 . . . . 0.0 111.803 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.0 -1.12 57.66 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.71 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 6.1 mtmt -102.35 124.99 48.9 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.226 1.513 . . . . 0.0 108.03 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.84 107.38 18.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.276 0.63 . . . . 0.0 111.198 -158.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.32 130.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -84.54 127.92 34.31 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.734 0.814 . . . . 0.0 111.191 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.21 164.49 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 125.144 1.378 . . . . 0.0 112.7 174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.56 137.72 21.76 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.18 154.65 19.17 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -165.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -129.99 -34.58 1.68 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 165.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.44 93.4 2.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -84.71 140.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 158.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -119.03 110.77 17.49 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.014 2.126 . . . . 0.0 105.805 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -77.31 165.25 24.71 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.359 0.664 . . . . 0.0 109.589 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 156.32 39.25 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 164.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -80.99 -16.13 10.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.453 2.768 . . . . 0.0 112.964 -169.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -148.59 5.35 0.7 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 112.227 -177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -133.86 158.76 74.68 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.408 1.483 . . . . 0.0 108.748 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.08 16.09 0.7 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.798 2.999 . . . . 0.0 113.498 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -83.83 -170.78 3.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.544 1.538 . . . . 0.0 110.709 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -119.01 163.69 16.58 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.532 1.933 . . . . 0.0 109.874 173.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.07 -35.2 2.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 127.678 2.391 . . . . 0.0 110.603 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.63 157.42 4.7 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 124.847 1.259 . . . . 0.0 109.884 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.9 mt -145.54 148.96 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -125.34 160.88 28.26 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.397 0.679 . . . . 0.0 109.783 165.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.38 142.56 43.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.27 148.58 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.609 1.095 . . . . 0.0 108.608 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -57.54 94.44 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.858 2.063 . . . . 0.0 109.847 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.867 176.727 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-C2' 101.712 -3.349 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 P-O3'-C3' 124.602 4.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 110.815 2.615 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 O4'-C1'-N19 113.024 4.824 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 1 O4'-C1'-N19 114.788 6.588 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-O4' 112.372 2.266 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.303 1 O4'-C1'-N19 114.001 5.801 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 2 C5'-C4'-C3' 107.882 -5.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . 0.415 " H1'" ' HB ' ' A' ' 29' ' ' ILE . . . . . . . . 0 O4'--C4' 1.411 -3.464 1 C4'-C3'-C2' 98.486 -4.214 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.994 0 C3'-C2'-C1' 104.215 3.017 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 2 P-O3'-C3' 125.591 4.909 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.29 -3.41 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O4'-C1'-N19 111.332 3.132 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 O4'-C1'-N19 114.837 6.637 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 2 P-O3'-C3' 125.439 4.783 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 112.159 3.959 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 1 O4'-C1'-N19 113.29 5.09 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 1 O4'-C1'-N19 112.232 4.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.321 3 C5'-C4'-C3' 108.567 -4.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 1 O4'-C1'-N19 112.952 4.752 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.177 3 P-O3'-C3' 127.597 6.581 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 113.315 5.115 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.525 3.325 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 1 O4'-C1'-N19 115.097 6.897 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 111.138 -2.908 . 0.129 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 O4'-C1'-N19 113.527 5.327 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C5'-C4'-O4' 113.34 2.957 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.934 3.734 OUTLIER-DELTA 0.084 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.646 3.446 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 P-O3'-C3' 124.623 4.102 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 O4'-C1'-N19 111.909 3.709 . 0.287 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 1 O4'-C1'-N19 112.485 4.285 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C4'-C3'-C2' 98.726 -3.974 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . 0.462 HO2' " C5'" ' B' ' 306' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.984 1 O4'-C1'-N19 114.07 5.87 . 0.195 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . 0.462 " C5'" HO2' ' B' ' 305' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 111.906 3.706 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 1 O4'-C1'-N19 112.587 4.387 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.589 -0.719 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -41.72 -71.01 0.09 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.547 1.939 . . . . 0.0 112.221 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m 60.55 96.68 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.263 2.225 . . . . 0.0 114.329 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.15 85.25 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -171.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.72 117.23 5.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.32 -161.69 0.95 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.606 1.563 . . . . 0.0 108.008 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -158.58 143.02 15.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.677 1.991 . . . . 0.0 106.243 165.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.97 131.95 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 123.285 0.634 . . . . 0.0 110.898 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.55 143.09 50.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.723 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? -133.72 -0.21 3.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.826 1.25 . . . . 0.0 113.88 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.95 12.49 0.4 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.473 2.309 . . . . 0.0 114.999 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -26.25 24.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -34.83 -27.67 0.01 OUTLIER Glycine 0 CA--C 1.542 1.722 0 C-N-CA 127.343 2.401 . . . . 0.0 116.121 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG3' ' H42' ' B' ' 297' ' ' ' C' . 1.1 tmtm? 168.36 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 1 C-N-CA 131.706 4.003 . . . . 0.0 109.17 158.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.93 41.34 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.709 1.623 . . . . 0.0 113.494 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.49 70.33 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.01 0.905 . . . . 0.0 110.658 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.6 m -65.3 -16.13 63.25 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.507 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.78 -19.35 16.76 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 117.026 -1.464 . . . . 0.0 113.733 175.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -77.61 -34.39 53.4 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.874 1.67 . . . . 0.0 110.283 164.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.12 -57.96 5.8 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -31.09 67.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.972 172.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.72 61.72 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.94 17.57 7.28 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.682 1.193 . . . . 0.0 112.806 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.65 12.94 7.96 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.285 0.634 . . . . 0.0 112.529 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.78 173.62 7.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.659 1.583 . . . . 0.0 108.536 170.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.4 p90 -152.47 155.76 33.03 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 172.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -70.95 158.58 55.02 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.26 1.973 . . . . 0.0 113.089 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.91 8.01 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.258 1.023 . . . . 0.0 110.473 162.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -136.27 159.61 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 124.963 1.305 . . . . 0.0 109.805 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -129.46 91.35 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 176.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.94 -172.9 2.13 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 112.139 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.26 81.98 0.42 Allowed Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.056 159.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.48 -95.7 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -168.32 -7.9 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.587 1.555 . . . . 0.0 113.335 -172.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -125.27 6.11 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 112.833 -159.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 73.45 161.37 0.16 Allowed Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 127.248 2.219 . . . . 0.0 111.239 -164.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 1.9 Cg_endo -97.91 -166.39 0.09 OUTLIER 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.884 3.722 . . . . 0.0 112.283 -163.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.43 105.87 2.3 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 122.722 0.409 . . . . 0.0 110.213 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.2 136.98 35.9 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.51 122.63 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.37 1.468 . . . . 0.0 109.101 -168.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.38 120.09 19.47 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 131.011 3.724 . . . . 0.0 108.685 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.18 166.34 24.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.822 0.82 . . . . 0.0 112.383 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 132.0 40.98 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.232 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -66.18 -47.64 73.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.099 0.874 . . . . 0.0 109.5 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.87 -34.54 78.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.073 0.851 . . . . 0.0 111.675 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.69 -77.46 0.03 OUTLIER 'General case' 0 C--N 1.345 0.381 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.95 -26.09 23.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -167.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -48.4 -64.21 0.86 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.796 1.638 . . . . 0.0 108.694 170.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.79 -22.16 45.82 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.74 -70.96 0.51 Allowed 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -61.26 -7.46 2.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.26 -16.85 56.3 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.14 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 155.13 48.93 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.256 0.935 . . . . 0.0 112.976 -173.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.6 74.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.512 -167.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.8 -48.03 80.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 124.336 1.054 . . . . 0.0 108.178 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 2.9 t80 -50.81 -45.55 59.4 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.857 1.208 . . . . 0.0 111.325 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -36.14 73.76 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.797 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -86.28 -12.69 48.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.849 1.259 . . . . 0.0 112.633 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -131.54 122.96 27.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -165.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -46.67 142.18 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.307 1.043 . . . . 0.0 112.651 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' CE2' ' A' ' 56' ' ' PHE . 5.4 mt -116.94 161.36 19.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.415 1.486 . . . . 0.0 107.919 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 m -115.66 97.47 6.15 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.975 0.807 . . . . 0.0 109.197 -173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mm -76.06 105.09 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.14 84.62 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 m -76.72 97.41 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 126.243 1.817 . . . . 0.0 106.938 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 57.41 25.98 11.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.336 0.654 . . . . 0.0 112.419 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.0 -3.76 35.7 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.857 1.218 . . . . 0.0 114.559 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -103.37 126.11 50.35 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 119.234 1.517 . . . . 0.0 108.501 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.23 109.05 21.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.076 0.55 . . . . 0.0 110.87 -159.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.94 128.06 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -171.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -86.16 129.6 34.79 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.191 0.996 . . . . 0.0 111.016 173.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.492 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 19.1 m -153.06 160.94 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.582 1.953 . . . . 0.0 110.765 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.19 134.33 47.96 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 119.022 0.828 . . . . 0.0 109.129 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.62 132.86 55.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.388 0.675 . . . . 0.0 111.139 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -128.98 -24.13 2.96 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.101 0.876 . . . . 0.0 111.387 -170.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -161.16 103.15 1.27 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.4 m -91.83 133.8 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 163.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -107.5 102.85 12.08 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -68.39 162.3 25.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.095 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 158.68 85.76 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 122.664 0.385 . . . . 0.0 110.978 170.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.68 -24.57 4.14 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.569 2.846 . . . . 0.0 112.997 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -148.64 12.07 0.89 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -126.43 157.02 71.91 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 108.78 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -78.73 61.96 8.19 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.719 2.946 . . . . 0.0 109.123 166.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -133.78 -173.04 3.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.761 1.224 . . . . 0.0 109.255 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.2 mt -131.0 127.5 38.47 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 125.727 1.611 . . . . 0.0 108.638 -174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.03 -41.12 62.3 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.79 1.236 . . . . 0.0 110.006 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 177.41 159.7 0.42 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 125.851 1.66 . . . . 0.0 108.465 -165.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 89.4 mt -145.46 145.02 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.44 148.75 44.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 167.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.42 158.44 27.19 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.31 142.74 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 117.989 0.359 . . . . 0.0 110.087 175.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -52.63 93.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.248 0 C-N-CA 127.027 2.131 . . . . 0.0 111.153 -167.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.492 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 116.519 -1.705 . . . . 0.0 111.625 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-C2' 102.371 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 P-O3'-C3' 122.834 2.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 P-O3'-C3' 122.878 2.649 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.584 4.384 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 1 O4'-C1'-N19 114.543 6.343 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C5'-C4'-O4' 112.592 2.423 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C5'-C4'-C3' 111.725 -2.517 . 0.66 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.463 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.493 1 O4'-C1'-N19 113.303 5.103 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C4'-C3'-C2' 97.505 -5.195 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 0 N19-C1'-C2' 107.343 -3.786 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 O4'-C1'-N19 113.217 5.017 . 0.319 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 O4'-C1'-N19 111.125 2.925 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 111.081 2.881 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 O4'-C1'-N19 113.771 5.571 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.045 -2.97 . 0.05 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 1 O4'-C1'-N19 112.387 4.187 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 112.082 3.882 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.108 2 P-O3'-C3' 126.19 5.409 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 2 C5'-C4'-C3' 107.678 -5.215 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.026 2 O4'-C1'-N19 113.979 5.779 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.367 4 C3'-C2'-C1' 105.759 4.732 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C4'-C3'-C2' 99.923 -2.777 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O4'-C1'-N19 112.055 3.855 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 1 O4'-C1'-N19 114.137 5.937 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.607 0 P-O3'-C3' 122.645 2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.406 ' H42' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.754 1 O4'-C1'-N19 113.14 4.94 . 0.488 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C5'-C4'-O4' 113.166 2.833 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.451 3.251 . 0.56 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 O4'-C1'-N19 111.747 3.547 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 112.017 3.817 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 113.193 4.993 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 1 O4'-C1'-N19 112.506 4.306 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 112.068 3.868 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.881 1 O4'-C1'-N19 113.033 4.833 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 110.533 2.333 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 1 O4'-C1'-N19 112.691 4.491 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.74 3.54 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 ptm . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.897 0.38 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 60.68 -77.66 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.413 1.485 . . . . 0.0 108.814 -159.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m 59.63 97.48 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.501 2.721 . . . . 0.0 112.912 169.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.6 89.12 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -165.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.25 116.38 5.95 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -172.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.86 -161.18 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.458 1.503 . . . . 0.0 108.003 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.78 144.19 22.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 164.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.02 144.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.677 . . . . 0.0 110.401 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -139.81 156.1 46.92 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.289 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -137.84 -4.81 1.75 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 113.191 167.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -66.96 15.74 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.564 2.745 . . . . 0.0 114.996 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -44.28 22.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.371 -173.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -19.99 -64.37 0.01 OUTLIER Glycine 0 C--N 1.343 0.946 0 C-N-CA 128.163 2.792 . . . . 0.0 112.844 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -159.74 -17.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.401 158.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.19 -43.97 97.89 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 124.818 1.199 . . . . 0.0 112.492 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.45 79.81 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 173.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -62.73 -27.36 69.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.993 0.517 . . . . 0.0 111.927 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 -39.18 15.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 116.294 -1.812 . . . . 0.0 111.387 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -64.28 -33.94 76.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.635 2.016 . . . . 0.0 110.713 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.41 -65.98 0.61 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.605 1.162 . . . . 0.0 108.121 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -61.11 -26.91 68.0 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.877 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.86 -21.21 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.46 18.71 12.81 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.936 1.295 . . . . 0.0 112.031 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 65.0 11.55 7.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.549 0.739 . . . . 0.0 112.918 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mtmm -84.29 172.75 11.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 166.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -152.5 154.82 32.3 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -70.14 154.89 65.83 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.054 1.836 . . . . 0.0 113.342 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.75 -179.04 5.96 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.922 0.889 . . . . 0.0 110.743 162.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tp -138.25 157.16 31.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 124.746 1.218 . . . . 0.0 110.159 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -127.77 100.08 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 -176.51 3.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -162.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.03 32.42 49.2 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.011 -1.09 . . . . 0.0 112.779 164.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.76 -97.4 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 tmmt? -178.14 -31.49 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.28 2.232 . . . . 0.0 109.317 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -86.98 -56.89 3.18 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.431 1.493 . . . . 0.0 109.834 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 171.44 164.13 0.23 Allowed Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 128.56 2.744 . . . . 0.0 108.567 -168.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 4.3 Cg_endo -94.84 -166.04 0.12 Allowed 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 124.907 3.738 . . . . 0.0 112.168 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.49 102.05 2.22 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.315 1.046 . . . . 0.0 110.06 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 139.41 47.07 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.52 140.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 6.2 tt0 -93.55 108.39 20.1 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 129.648 3.179 . . . . 0.0 107.293 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -130.48 164.73 24.18 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.586 0.707 . . . . 0.0 111.878 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.62 136.23 40.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.598 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.59 -50.76 23.21 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.485 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -22.91 61.36 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.718 0.69 . . . . 0.0 111.577 -170.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.78 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.09 1.756 . . . . 0.0 107.82 159.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -56.79 -26.57 24.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 tpt -50.13 -62.5 1.54 Allowed 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.132 1.773 . . . . 0.0 108.885 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -57.12 -21.24 30.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.353 0.979 . . . . 0.0 113.592 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -82.99 -68.72 0.68 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 118.468 -0.777 . . . . 0.0 108.907 -174.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -61.76 -6.96 2.98 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.517 1.053 . . . . 0.0 113.759 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.85 -3.55 22.95 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 125.477 1.511 . . . . 0.0 112.54 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.53 34.05 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.379 1.445 . . . . 0.0 110.166 163.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.23 60.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -57.03 -21.87 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.652 1.581 . . . . 0.0 111.636 171.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 54.8 t80 -69.53 -51.5 35.05 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 121.21 -0.931 . . . . 0.0 112.248 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.19 -30.15 31.06 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.685 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -83.49 -21.88 32.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.602 1.161 . . . . 0.0 111.754 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.44 127.66 33.82 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -174.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.9 p -52.35 145.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.426 1.491 . . . . 0.0 112.243 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 9.2 mt -113.26 164.11 13.96 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.955 1.702 . . . . 0.0 107.919 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -118.34 98.22 6.17 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.179 0.445 . . . . 0.0 110.822 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.7 mm -74.17 105.98 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.4 t -84.17 82.05 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 m -73.06 98.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 125.149 1.38 . . . . 0.0 108.359 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.01 26.37 9.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.142 0.977 . . . . 0.0 112.52 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.31 -5.35 30.04 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.987 1.28 . . . . 0.0 114.538 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.07 117.06 33.74 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 119.366 1.583 . . . . 0.0 108.386 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -82.5 117.86 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.839 1.256 . . . . 0.0 113.025 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -118.35 128.85 75.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -86.65 124.4 32.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 123.223 0.609 . . . . 0.0 110.604 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.76 162.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 C-N-CA 125.008 1.323 . . . . 0.0 112.454 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 139.54 23.24 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.568 0.747 . . . . 0.0 109.098 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.61 155.61 7.25 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -166.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -131.94 -43.81 0.97 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.761 0.824 . . . . 0.0 111.776 167.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.12 88.94 1.83 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 -173.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 20.8 m -82.9 135.39 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 158.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.23 114.51 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 -177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -78.31 159.8 28.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.103 0.561 . . . . 0.0 109.58 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.17 160.5 64.01 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 123.339 0.656 . . . . 0.0 110.653 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.01 -18.49 11.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.836 2.357 . . . . 0.0 113.321 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -144.92 -39.68 0.26 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 119.098 0.863 . . . . 0.0 112.22 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -75.48 156.42 85.2 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.236 1.014 . . . . 0.0 109.936 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -80.11 66.15 8.83 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.717 2.944 . . . . 0.0 109.872 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -137.27 -169.29 2.47 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.052 1.341 . . . . 0.0 109.97 -174.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 mt -129.76 142.51 50.68 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.528 1.931 . . . . 0.0 108.206 -176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.53 -34.0 12.84 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.37 1.068 . . . . 0.0 110.841 172.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -175.2 157.03 2.18 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.971 1.309 . . . . 0.0 109.45 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 92.1 mt -144.43 148.79 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -124.47 160.31 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.714 164.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.44 145.91 52.01 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -94.27 147.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 174.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -57.26 96.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.828 2.051 . . . . 0.0 110.311 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.341 168.472 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C5'-C4'-C3' 111.768 -2.488 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.362 1 C4'-C3'-O3' 121.845 4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.86 2 O5'-C5'-C4' 119.132 6.38 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 1 O4'-C1'-N19 113.066 4.866 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 1 O4'-C1'-N19 114.74 6.54 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 C5'-C4'-O4' 112.719 2.514 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 O4'-C1'-N19 110.833 2.633 . 0.372 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.473 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.473 1 O4'-C1'-N19 112.709 4.509 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 2 P-O3'-C3' 125.928 5.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.417 0 N19-C1'-C2' 107.356 -3.777 . 0.362 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 1 O4'-C1'-N19 112.338 4.138 . 0.545 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.58 3.38 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.585 3.385 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 O4'-C1'-N19 114.201 6.001 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C5'-C4'-C3' 110.39 -3.407 . 0.07 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 O4'-C1'-N19 112.049 3.849 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.462 4.262 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 110.525 2.325 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 O4'-C1'-N19 112.582 4.382 . 0.493 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 1 O4'-C1'-N19 112.296 4.096 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.943 2 P-O3'-C3' 126.654 5.795 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.909 2 O4'-C1'-N19 113.22 5.02 . 0.018 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.973 3.773 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 1 O4'-C1'-N19 113.979 5.779 . 0.893 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.434 -2.71 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 1 O4'-C1'-N19 112.794 4.594 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-O4' 113.142 2.816 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 O4'-C1'-N19 111.741 3.541 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.488 3.288 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 O4'-C1'-N19 111.969 3.769 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 O4'-C1'-N19 112.515 4.315 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 1 O4'-C1'-N19 112.366 4.166 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 C4'-C3'-C2' 97.769 -4.931 . 0.863 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 O4'-C1'-N19 111.308 3.108 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 P-O3'-C3' 122.806 2.589 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.42 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 112.2 4.0 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.42 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.871 1 O4'-C1'-N19 112.432 4.232 . 0.862 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.06 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.96 1.304 . . . . 0.0 110.618 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m 57.82 103.54 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.737 2.415 . . . . 0.0 114.209 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.22 85.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 123.91 0.884 . . . . 0.0 109.126 -170.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.535 HD21 ' HB ' ' A' ' 64' ' ' VAL . 3.1 m120 -59.64 120.23 9.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.738 0.815 . . . . 0.0 109.522 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.15 -161.66 1.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.058 1.343 . . . . 0.0 108.597 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -155.23 143.72 20.42 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.816 2.046 . . . . 0.0 105.699 165.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -64.59 142.42 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.875 -0.516 . . . . 0.0 110.75 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.46 155.39 50.07 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.927 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -134.91 -1.97 2.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.351 1.46 . . . . 0.0 112.904 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.72 14.13 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.478 2.311 . . . . 0.0 114.49 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -39.47 19.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -166.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.8 3.84 0.01 OUTLIER Glycine 0 CA--C 1.54 1.606 0 C-N-CA 128.723 3.059 . . . . 0.0 119.696 -166.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 139.71 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.559 1 C-N-CA 136.445 5.898 . . . . 0.0 108.405 172.27 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.98 -53.09 10.87 Favored Glycine 0 C--N 1.344 0.991 0 C-N-CA 125.831 1.682 . . . . 0.0 112.392 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.69 -52.33 52.33 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.43 1.092 . . . . 0.0 111.066 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -59.3 -21.89 60.38 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.122 0.569 . . . . 0.0 112.257 -166.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -34.07 13.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.519 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.95 -35.28 79.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 122.205 2.275 . . . . 0.0 110.431 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -56.59 16.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.101 0.961 . . . . 0.0 108.588 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -56.78 -28.07 60.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 113.033 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 -12.13 59.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.56 -86.97 0.4 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 165.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.83 9.46 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.391 1.877 . . . . 0.0 111.715 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -91.68 176.07 6.67 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.867 1.667 . . . . 0.0 108.666 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -159.64 153.34 19.2 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.55 158.83 36.01 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.228 1.285 . . . . 0.0 112.703 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.61 177.98 7.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.387 1.075 . . . . 0.0 110.071 165.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HB ' " H1'" ' B' ' 275' ' ' ' G' . 11.1 tp -132.87 148.45 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.163 1.385 . . . . 0.0 109.948 171.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.6 mt -116.74 80.21 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 175.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.96 -165.98 1.39 Allowed 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.03 -172.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.68 53.86 14.59 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 165.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.34 -102.76 2.67 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -177.13 -38.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.902 1.681 . . . . 0.0 109.844 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -87.59 -71.23 0.58 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.74 167.55 4.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.767 1.227 . . . . 0.0 112.285 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HG2' " H1'" ' B' ' 274' ' ' ' U' . 87.7 Cg_exo -72.88 -166.03 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.726 1 C-N-CA 126.109 4.539 . . . . 0.0 117.82 -178.043 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.52 104.83 2.4 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.856 1.662 . . . . 0.0 108.959 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.48 139.13 45.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.77 141.14 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 125.576 1.55 . . . . 0.0 107.449 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -92.2 115.59 28.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.241 2.616 . . . . 0.0 108.862 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.44 167.46 20.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.411 0.624 . . . . 0.0 112.296 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 130.73 38.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.378 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -64.46 -51.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.946 0.779 . . . . 0.0 110.476 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.21 -34.96 75.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.149 0.431 . . . . 0.0 111.582 -172.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -62.42 -75.28 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.86 -26.24 20.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 tpp -51.43 -63.02 1.27 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.11 1.364 . . . . 0.0 109.557 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.51 -16.75 40.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.3 -67.51 0.78 Allowed 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.0 -8.51 3.27 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.633 1.106 . . . . 0.0 113.661 176.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.34 -7.99 22.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-O 117.18 -1.391 . . . . 0.0 111.077 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 158.69 38.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 110.837 170.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.56 61.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.32 -19.55 35.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.525 1.93 . . . . 0.0 111.57 173.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 57.1 t80 -70.89 -51.73 24.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 120.989 -1.069 . . . . 0.0 111.882 176.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -80.24 -29.34 38.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.319 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -78.18 -37.43 45.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 110.814 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.6 126.88 47.42 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -168.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.559 1.544 . . . . 0.0 113.447 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.2 mt -114.91 155.53 26.7 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.45 1.5 . . . . 0.0 108.527 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -112.69 97.45 6.58 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.141 0.882 . . . . 0.0 109.997 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mm -74.18 111.5 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 120.939 -1.101 . . . . 0.0 108.918 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.535 ' HB ' HD21 ' A' ' 5' ' ' ASN . 41.3 t -93.26 84.84 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.09 97.64 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.627 1.571 . . . . 0.0 107.492 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.99 29.15 15.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.069 0.548 . . . . 0.0 111.968 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.96 -4.13 45.39 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.468 -1.185 . . . . 0.0 114.271 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 125.23 48.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 119.321 1.56 . . . . 0.0 109.26 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.6 109.28 21.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.193 0.997 . . . . 0.0 110.96 -161.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.95 126.85 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -168.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -85.97 124.52 32.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.053 0.541 . . . . 0.0 109.901 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.9 m -150.33 159.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 O-C-N 124.323 1.014 . . . . 0.0 113.201 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -131.47 132.31 44.17 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.668 0.787 . . . . 0.0 109.616 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.49 133.14 48.95 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 124.193 0.933 . . . . 0.0 110.835 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -132.02 -18.61 2.63 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.132 0.973 . . . . 0.0 112.424 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.62 94.39 1.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -88.64 135.71 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 161.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.44 172.89 8.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.052 1.741 . . . . 0.0 107.548 170.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 164.97 31.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.073 0.949 . . . . 0.0 109.773 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.7 164.28 32.44 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.108 159.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -87.78 -16.07 3.07 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.628 2.885 . . . . 0.0 113.657 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -134.61 -6.77 2.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.971 1.309 . . . . 0.0 112.648 -170.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -144.99 166.75 16.79 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 128.431 2.692 . . . . 0.0 106.03 166.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.26 10.72 2.61 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 CA-C-N 120.923 1.365 . . . . 0.0 112.825 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -53.53 99.57 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 C-N-CA 127.544 2.337 . . . . 0.0 112.085 -168.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.73 108.96 1.27 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 127.071 2.148 . . . . 0.0 108.281 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -75.66 -24.99 56.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.741 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -174.66 157.47 2.55 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.169 0.988 . . . . 0.0 110.888 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 81.4 mt -146.46 150.29 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.35 1.46 . . . . 0.0 108.107 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.04 126.56 36.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.897 1.679 . . . . 0.0 107.539 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.55 132.06 53.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.389 1.076 . . . . 0.0 108.82 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.58 157.21 3.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.989 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -67.96 90.14 0.3 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.951 0.901 . . . . 0.0 109.812 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.63 -0.7 . . . . 0.0 112.187 173.382 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 100.916 -1.784 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.79 0 C4'-C3'-C2' 99.848 -2.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O4'-C1'-N19 111.385 3.185 . 0.364 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 113.064 4.864 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 O4'-C1'-N19 114.349 6.149 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C5'-C4'-O4' 112.428 2.305 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 111.051 2.851 . 0.344 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.429 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.424 1 O4'-C1'-N19 113.511 5.311 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . 0.411 " H1'" ' HB ' ' A' ' 29' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.403 2 C4'-C3'-C2' 97.366 -5.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 2 N19-C1'-C2' 106.89 -4.069 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 2 O4'-C1'-N19 113.349 5.149 . 0.107 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . 0.422 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.184 2.984 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . 0.407 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.44 3.24 . 0.488 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 O4'-C1'-N19 113.975 5.775 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C5'-C4'-C3' 110.429 -3.381 . 0.018 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 O4'-C1'-N19 112.275 4.075 . 0.194 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.295 4.095 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.395 1 O4'-C1'-N19 113.782 5.582 . 0.029 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . 0.459 " H2'" ' C5 ' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 O4'-C1'-N19 114.678 6.478 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . 0.459 ' C5 ' " H2'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 O5'-C5'-C4' 117.133 4.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 P-O3'-C3' 123.901 3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 1 O4'-C1'-N19 113.999 5.799 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 112.096 3.896 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 1 O4'-C1'-N19 114.415 6.215 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C1'-O4'-C4' 112.193 2.881 . 0.039 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 112.694 4.494 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C4'-C3'-C2' 99.362 -3.338 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . 0.422 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O3'-P-O5' 97.973 -3.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 O4'-C1'-N19 112.225 4.025 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.924 3.724 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 1 O4'-C1'-N19 113.012 4.812 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 1 O4'-C1'-N19 112.671 4.471 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 0 C4'-C3'-C2' 99.589 -3.111 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.036 1 O4'-C1'-N19 112.483 4.283 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.943 2.743 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . 0.477 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.418 1 O4'-C1'-N19 114.533 6.333 OUTLIER-EPSILON 0.529 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . 0.477 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.918 4 P-O3'-C3' 126.245 5.454 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' HA ' ' HE1' ' A' ' 1' ' ' MET . 5.2 tpt . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -61.33 -62.44 1.83 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.469 1.108 . . . . 0.0 110.522 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 63.26 98.5 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.235 2.214 . . . . 0.0 114.154 168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.56 84.16 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -167.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.11 109.27 0.72 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.54 -161.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 107.41 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.54 138.27 11.96 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -62.45 132.62 28.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.614 -0.679 . . . . 0.0 110.607 -177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.72 150.1 52.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.043 179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.7 mmpt? -137.09 -3.54 1.98 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.372 1.869 . . . . 0.0 113.186 173.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.45 14.07 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.723 2.409 . . . . 0.0 115.039 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -53.55 8.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.898 1.279 . . . . 0.0 114.099 -164.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -5.21 -71.41 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 C-N-CA 130.146 3.736 . . . . 0.0 114.38 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -163.87 -11.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.019 0.928 . . . . 0.0 110.517 158.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -29.99 75.71 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 125.025 1.297 . . . . 0.0 113.061 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.24 -45.83 53.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.68 -0.894 . . . . 0.0 110.746 167.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -60.28 -22.28 62.93 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -40.08 14.6 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 127.523 2.329 . . . . 0.0 112.09 173.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -34.79 76.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 122.015 2.189 . . . . 0.0 111.047 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -54.31 10.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.27 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.25 -28.56 66.82 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.804 0.729 . . . . 0.0 112.302 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.95 -15.4 61.12 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.01 17.22 10.88 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.94 1.296 . . . . 0.0 112.326 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 64.43 13.35 8.05 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.7 mtmm -91.95 175.83 6.73 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.806 1.642 . . . . 0.0 107.463 171.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.49 152.81 17.18 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -71.95 155.58 57.37 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.814 1.676 . . . . 0.0 112.874 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.16 178.48 7.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.676 1.191 . . . . 0.0 110.442 163.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -136.91 159.48 36.98 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 C-N-CA 124.538 1.135 . . . . 0.0 109.822 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.71 94.26 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.9 -174.37 2.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -165.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 24.68 59.04 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.366 161.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 -99.34 0.35 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.18 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 126.316 1.846 . . . . 0.0 109.607 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.03 -47.88 48.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.8 1.24 . . . . 0.0 110.307 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 161.7 166.25 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 128.109 2.564 . . . . 0.0 109.282 -160.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 0.9 OUTLIER -94.66 -161.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.836 1 C-N-CA 125.346 4.031 . . . . 0.0 111.553 177.003 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -160.2 105.65 1.52 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.491 1.116 . . . . 0.0 109.753 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.39 137.24 37.91 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.745 -0.597 . . . . 0.0 109.408 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -142.86 123.94 11.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.753 1.621 . . . . 0.0 108.045 -170.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 11.6 tt0 -79.89 113.0 17.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 129.563 3.145 . . . . 0.0 108.76 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.05 166.67 17.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.463 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.33 138.2 40.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.855 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.44 -52.09 13.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.915 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -23.08 62.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.736 0.698 . . . . 0.0 111.274 -171.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -56.91 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.194 1.798 . . . . 0.0 107.657 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.6 -26.11 26.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 119.937 1.244 . . . . 0.0 114.011 -170.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -58.58 6.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.31 1.444 . . . . 0.0 108.735 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.21 -23.01 63.69 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmt -81.62 -67.25 0.8 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.454 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.04 -17.93 3.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.179 2.192 . . . . 0.0 112.803 174.084 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.95 -3.85 14.43 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 125.675 1.59 . . . . 0.0 112.574 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.7 38.69 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 119.983 1.265 . . . . 0.0 109.865 164.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 -21.97 59.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.239 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.81 -19.06 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 111.779 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 64.2 t80 -69.98 -54.98 10.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.053 -1.029 . . . . 0.0 111.791 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -77.24 -32.9 56.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.687 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -73.24 -40.17 64.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.619 1.168 . . . . 0.0 110.526 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.49 119.25 28.6 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.69 145.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 126.281 1.832 . . . . 0.0 112.858 -167.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 44.8 mt -107.53 154.67 21.05 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.844 1.658 . . . . 0.0 108.19 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.8 m -111.84 88.07 2.71 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.14 110.59 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 O-C-N 120.798 -1.189 . . . . 0.0 110.359 173.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.03 86.49 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 125.55 1.54 . . . . 0.0 107.438 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 m -75.75 95.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.489 1.915 . . . . 0.0 107.76 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 57.25 26.21 12.01 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.844 0.857 . . . . 0.0 112.423 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.01 -6.69 30.9 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.982 1.277 . . . . 0.0 114.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -99.29 124.71 44.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 119.122 1.461 . . . . 0.0 108.569 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -98.69 110.29 22.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.033 0.533 . . . . 0.0 111.005 -161.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.11 127.26 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.408 0.683 . . . . 0.0 109.185 -169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -85.61 123.34 30.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.194 0.998 . . . . 0.0 110.672 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.9 m -152.24 159.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 125.036 1.334 . . . . 0.0 113.299 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -132.29 136.75 47.13 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.383 1.073 . . . . 0.0 110.74 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.02 57.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.831 0.707 . . . . 0.0 112.415 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.19 -32.22 3.0 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.961 0.788 . . . . 0.0 112.565 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 96.24 2.49 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 126.389 1.876 . . . . 0.0 106.561 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -82.93 145.66 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 158.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -124.31 115.61 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.488 1.915 . . . . 0.0 105.939 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -74.77 165.07 25.83 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.021 0.529 . . . . 0.0 110.538 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 160.27 69.66 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.339 0.656 . . . . 0.0 110.761 169.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -81.5 -7.04 12.74 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.19 2.593 . . . . 0.0 113.67 -172.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -146.73 -57.79 0.28 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.606 1.093 . . . . 0.0 111.825 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -77.0 158.21 80.46 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.051 1.74 . . . . 0.0 109.524 176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.5 18.54 0.69 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.783 2.989 . . . . 0.0 114.552 -170.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -77.56 -164.07 0.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.057 1.743 . . . . 0.0 111.178 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.4 mt -128.79 139.15 52.32 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.984 2.114 . . . . 0.0 108.06 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -36.98 16.6 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.276 1.03 . . . . 0.0 110.632 170.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -173.15 156.74 3.28 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.452 1.101 . . . . 0.0 109.319 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.3 mt -145.78 149.03 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -119.94 161.33 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.602 164.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.58 157.27 43.16 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 165.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.49 150.96 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -58.45 91.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.792 2.037 . . . . 0.0 110.753 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.043 0.937 . . . . 0.0 111.438 169.326 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 1 O4'-C1'-N19 113.45 5.25 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 110.529 2.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.324 3.124 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 O4'-C1'-N19 113.242 5.042 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 1 O4'-C1'-N19 114.558 6.358 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C5'-C4'-O4' 113.095 2.782 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 P-O3'-C3' 124.697 4.165 . 0.121 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.474 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.602 1 O4'-C1'-N19 112.544 4.344 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 P-O3'-C3' 126.496 5.663 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.426 0 N19-C1'-C2' 107.526 -3.671 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 2 O4'-C1'-N19 112.57 4.37 . 0.891 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.386 3.186 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.187 2.987 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 114.059 5.859 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 110.141 -3.573 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 O4'-C1'-N19 112.465 4.265 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 1 O4'-C1'-N19 114.037 5.837 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . 0.401 HO2' H5'' ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 O5'-C5'-C4' 114.33 2.95 . 0.611 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . 0.401 H5'' HO2' ' B' ' 284' ' ' ' U' . . . . . . . . 0 P--O5' 1.624 3.149 2 O4'-C1'-N19 112.666 4.466 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 O4'-C1'-N19 112.153 3.953 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.345 3 P-O3'-C3' 127.352 6.377 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.916 4.716 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C1'-N19 111.937 3.737 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 1 O4'-C1'-N19 113.662 5.462 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 C5'-C4'-C3' 110.279 -3.481 . 0.2 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.743 1 O4'-C1'-N19 113.044 4.844 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C5'-C4'-O4' 113.262 2.901 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 O4'-C1'-N19 112.004 3.804 OUTLIER-DELTA 0.116 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.845 3.645 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 112.14 3.94 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 112.067 3.867 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 O4'-C1'-N19 112.016 3.816 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 C4'-C3'-C2' 98.337 -4.363 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.834 0 O4'-C1'-N19 112.164 3.964 . 0.086 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 P-O3'-C3' 122.613 2.428 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 112.015 3.815 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.347 3.147 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.675 0.274 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 47.61 42.91 15.77 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 120.103 -1.623 . . . . 0.0 110.829 -162.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.1 m -81.3 129.39 34.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 128.059 2.543 . . . . 0.0 108.578 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.85 77.91 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -170.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.549 HD21 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -56.88 109.61 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.693 1.197 . . . . 0.0 108.648 -175.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.34 -162.34 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.12 1.368 . . . . 0.0 107.398 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -151.56 147.09 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 104.389 -2.448 . . . . 0.0 104.389 164.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.86 144.22 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.433 0.635 . . . . 0.0 110.467 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -136.28 153.97 51.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.933 174.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -135.97 1.83 2.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 112.256 166.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 10.36 0.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.813 2.445 . . . . 0.0 114.798 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.59 -56.53 5.05 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.72 1.608 . . . . 0.0 113.939 -159.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -16.2 -66.1 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.285 3.326 . . . . 0.0 114.351 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB2' ' H42' ' B' ' 297' ' ' ' C' . 0.1 OUTLIER -157.52 -11.06 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.816 158.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.34 69.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.558 1.075 . . . . 0.0 112.966 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.51 -56.6 4.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.857 0.863 . . . . 0.0 111.238 175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.5 m -63.84 -17.31 63.01 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.322 -0.861 . . . . 0.0 112.433 -170.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -76.53 -52.73 9.2 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.253 167.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -65.94 -41.06 91.8 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.06 1.755 . . . . 0.0 109.671 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -61.6 2.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.854 1.261 . . . . 0.0 111.335 176.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -24.16 67.65 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.217 0.917 . . . . 0.0 112.091 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 -16.16 61.45 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.6 18.67 8.06 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 125.546 1.538 . . . . 0.0 112.478 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.01 9.34 6.1 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -85.61 176.49 8.16 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 108.392 167.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -158.4 152.9 20.46 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -71.91 156.43 56.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 113.047 -175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.75 -178.73 5.55 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.715 1.206 . . . . 0.0 110.581 162.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.7 tp -136.94 157.36 35.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 C-N-CA 124.574 1.15 . . . . 0.0 110.114 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 56.8 mt -125.2 86.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -93.29 -179.48 5.08 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.975 0.51 . . . . 0.0 112.323 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.02 -3.86 0.08 OUTLIER Glycine 0 N--CA 1.47 0.906 0 N-CA-C 116.623 1.409 . . . . 0.0 116.623 -172.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.14 72.29 0.22 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 127.745 2.593 . . . . 0.0 115.35 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -146.7 -46.07 0.18 Allowed 'General case' 0 C--N 1.342 0.257 0 C-N-CA 125.313 1.445 . . . . 0.0 111.603 163.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -119.02 8.4 11.6 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.711 1.204 . . . . 0.0 111.765 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 66.66 164.92 0.12 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.073 1.749 . . . . 0.0 110.107 -158.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 9.1 Cg_endo -92.47 -169.11 0.24 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.088 2.525 . . . . 0.0 112.19 -165.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tp -148.81 101.77 3.22 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.005 0.522 . . . . 0.0 110.016 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 135.33 46.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.78 138.72 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -85.56 115.96 23.58 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.071 2.149 . . . . 0.0 109.389 169.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -130.91 166.44 20.91 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.333 0.653 . . . . 0.0 111.201 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 131.44 40.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.506 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -66.71 -48.8 68.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.713 0.633 . . . . 0.0 109.616 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.38 -31.1 70.23 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.52 0.6 . . . . 0.0 111.181 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -58.85 -76.76 0.04 OUTLIER 'General case' 0 C--N 1.348 0.527 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 165.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.9 p -56.65 -26.72 24.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -166.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -60.24 3.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.799 1.639 . . . . 0.0 108.794 171.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.09 -22.87 63.3 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.2 mmm -83.01 -66.16 0.92 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.41 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.67 -18.08 4.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.11 2.164 . . . . 0.0 112.687 173.332 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.86 -2.85 13.44 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.468 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.65 158.11 37.2 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.799 1.636 . . . . 0.0 110.296 163.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.67 62.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.381 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.04 -18.16 32.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.221 1.408 . . . . 0.0 112.029 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 73.1 t80 -74.23 -53.37 9.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 120.98 -1.075 . . . . 0.0 112.05 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -78.64 -27.09 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.044 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -77.27 -48.9 16.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.917 1.287 . . . . 0.0 110.373 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.22 126.86 54.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -165.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.29 143.18 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.135 1.374 . . . . 0.0 112.436 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 24.9 mt -105.72 147.98 27.95 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 125.459 1.504 . . . . 0.0 108.088 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.5 m -106.98 100.56 10.05 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.35 108.15 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.731 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.549 ' HB ' HD21 ' A' ' 5' ' ' ASN . 45.3 t -93.27 83.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.0 m -72.77 94.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.558 1.543 . . . . 0.0 108.185 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 56.16 26.09 9.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.11 0.964 . . . . 0.0 112.443 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.31 25.76 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.853 1.216 . . . . 0.0 114.531 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -97.2 123.29 40.93 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.286 1.543 . . . . 0.0 108.544 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -96.93 111.71 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.442 0.697 . . . . 0.0 111.17 -164.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 2.0 mp -115.69 124.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -170.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.02 125.51 33.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 111.045 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.7 m -152.72 159.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 C-N-CA 124.656 1.182 . . . . 0.0 112.761 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -132.0 135.9 46.89 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.139 0.976 . . . . 0.0 109.642 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 136.04 54.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.939 0.775 . . . . 0.0 111.523 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -118.66 -40.53 2.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.317 1.047 . . . . 0.0 110.863 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -151.8 98.55 2.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.88 145.55 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 161.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -119.03 111.28 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -78.99 164.04 24.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 110.243 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 160.78 77.78 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 123.001 0.52 . . . . 0.0 111.546 169.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -84.65 -11.1 8.21 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.441 2.76 . . . . 0.0 113.99 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -137.9 -56.25 0.67 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 120.258 1.39 . . . . 0.0 110.966 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -81.8 162.63 57.02 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.373 1.469 . . . . 0.0 109.966 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.38 19.48 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.645 2.897 . . . . 0.0 113.814 -172.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -75.13 -169.98 1.05 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.496 1.518 . . . . 0.0 111.061 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -122.94 148.25 45.69 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.522 1.929 . . . . 0.0 108.07 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -101.81 -31.86 10.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.926 1.29 . . . . 0.0 110.995 170.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -175.73 158.99 2.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.157 1.383 . . . . 0.0 109.058 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 87.6 mt -145.23 150.39 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -123.27 156.28 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.712 0.805 . . . . 0.0 108.845 167.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.53 150.57 52.14 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.521 1.529 . . . . 0.0 107.198 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 m -102.54 148.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -57.1 95.22 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.433 1.493 . . . . 0.0 110.262 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.799 170.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 1 O4'-C1'-N19 114.336 6.136 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 P-O3'-C3' 122.58 2.4 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.904 2.704 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 113.543 5.343 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 116.255 8.055 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 2 O5'-C5'-C4' 117.195 4.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 P-O3'-C3' 124.426 3.938 . 0.01 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 274' ' ' ' U' . . . . . 0.468 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.451 1 O4'-C1'-N19 113.519 5.319 . 0.445 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 C4'-C3'-C2' 98.51 -4.19 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.557 0 C3'-C2'-C1' 104.408 3.231 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 P-O3'-C3' 124.531 4.026 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.914 3.714 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 O4'-C1'-N19 111.91 3.71 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 114.656 6.456 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 C5'-C4'-C3' 109.272 -4.152 . 0.113 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 O4'-C1'-N19 112.114 3.914 . 0.24 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 1 O4'-C1'-N19 112.242 4.042 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 P-O3'-C3' 122.541 2.368 . 0.628 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 O4'-C1'-N19 112.038 3.838 . 0.499 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 112.16 3.96 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 2 P-O3'-C3' 126.655 5.796 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.691 2 O4'-C1'-N19 112.763 4.563 . 0.051 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 O4'-C1'-N19 111.573 3.373 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 1 O4'-C1'-N19 113.787 5.587 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C5'-C4'-C3' 110.737 -3.175 . 0.144 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 297' ' ' ' C' . . . . . 0.44 ' H42' ' HB2' ' A' ' 14' ' ' LYS . . . . . . . . 0 P--O5' 1.62 2.716 1 O4'-C1'-N19 113.331 5.131 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 113.352 2.966 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C5'-C4'-C3' 110.887 -3.076 . 0.373 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 O4'-C1'-N19 111.472 3.272 . 0.113 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.888 3.688 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 112.892 4.692 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.714 4.514 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C4'-C3'-C2' 99.019 -3.681 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 0 O4'-C1'-N19 111.768 3.568 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.586 2.386 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.658 3.458 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 O4'-C1'-N19 111.495 3.295 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.422 HG23 ' HB ' ' A' ' 62' ' ' THR . 9.0 m 54.27 103.29 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.138 2.575 . . . . 0.0 114.586 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.73 86.02 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -169.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -60.99 119.43 8.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.29 -162.2 1.05 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.439 1.496 . . . . 0.0 108.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -156.33 140.6 16.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.488 2.315 . . . . 0.0 105.27 168.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.9 m -64.48 142.17 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.483 -0.761 . . . . 0.0 111.414 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.13 151.94 39.26 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.289 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -133.5 -3.31 3.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.285 1.834 . . . . 0.0 113.638 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.94 13.63 0.37 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.799 2.04 . . . . 0.0 114.797 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -32.73 9.52 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -172.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.38 -5.37 0.07 OUTLIER Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.097 2.284 . . . . 0.0 118.112 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 144.16 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 133.986 4.914 . . . . 0.0 110.941 166.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.96 74.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.257 0.932 . . . . 0.0 112.539 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -68.51 -47.76 66.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.203 1.001 . . . . 0.0 110.063 173.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -24.6 65.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.831 -0.543 . . . . 0.0 111.551 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -23.68 17.96 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 116.35 -1.786 . . . . 0.0 113.899 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.99 -41.32 17.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 121.416 1.916 . . . . 0.0 109.743 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.17 -56.16 21.52 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.721 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -27.61 67.23 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 118.894 0.77 . . . . 0.0 112.262 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.61 63.06 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.23 16.27 7.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.294 1.038 . . . . 0.0 113.14 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.34 14.68 8.07 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -83.52 176.5 9.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 162.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -164.4 129.88 2.08 Favored Pre-proline 0 N--CA 1.447 -0.614 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -159.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -70.57 156.9 60.3 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.675 1.584 . . . . 0.0 113.042 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.39 -178.79 6.15 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.182 1.393 . . . . 0.0 111.078 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 37' ' ' PRO . 8.6 tp -139.75 161.26 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.208 1.403 . . . . 0.0 110.274 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.793 HD11 HG13 ' A' ' 63' ' ' ILE . 52.5 mt -131.74 92.56 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.806 2.042 . . . . 0.0 105.586 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD1' HG12 ' A' ' 92' ' ' VAL . 3.7 p90 . . . . . 0 C--N 1.342 0.261 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.3 Cg_exo . . . . . 0 CA--C 1.535 0.538 0 N-CA-C 116.282 1.608 . . . . 0.0 116.282 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.9 107.6 2.98 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.348 1.059 . . . . 0.0 110.557 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.24 138.46 41.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.428 0.291 . . . . 0.0 110.544 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.456 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.27 132.91 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 126.335 1.854 . . . . 0.0 107.76 -175.63 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.64 121.78 27.71 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 128.145 2.578 . . . . 0.0 108.568 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -137.44 170.39 16.16 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.741 0.782 . . . . 0.0 111.267 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 7.0 t70 -74.67 130.3 39.28 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.235 1.414 . . . . 0.0 109.724 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.9 -50.84 63.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.346 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.76 -28.61 67.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.516 0.598 . . . . 0.0 111.714 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 50' ' ' MET . 21.9 ttmm -59.43 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.147 162.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.34 -27.72 17.49 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 119.68 1.127 . . . . 0.0 113.884 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 tpt -47.01 -65.1 0.62 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 126.191 1.796 . . . . 0.0 110.178 165.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -55.02 -23.1 17.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.851 1.205 . . . . 0.0 114.127 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.1 mmm -84.99 -65.27 1.03 Allowed 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -170.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.63 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.4 pp0? -61.52 -7.8 3.58 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 120.194 1.361 . . . . 0.0 114.113 173.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -2.43 24.81 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 125.657 1.583 . . . . 0.0 112.503 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 157.9 31.98 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.944 1.247 . . . . 0.0 109.615 160.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -25.26 59.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -52.9 -25.64 12.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.73 2.012 . . . . 0.0 111.578 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 34.7 t80 -74.65 -39.91 61.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.262 -0.899 . . . . 0.0 113.358 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -91.34 -28.43 17.74 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.578 0.549 . . . . 0.0 112.057 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 t -83.05 -23.39 33.21 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.791 1.236 . . . . 0.0 110.77 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.74 162.29 27.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -74.06 150.75 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.691 0.796 . . . . 0.0 112.365 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 56' ' ' PHE . 12.3 mt -117.36 158.21 24.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.56 2.344 . . . . 0.0 108.256 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.4 m -113.51 98.99 7.41 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.696 0.68 . . . . 0.0 109.24 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.793 HG13 HD11 ' A' ' 30' ' ' ILE . 3.2 mm -75.59 110.04 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 O-C-N 121.037 -1.039 . . . . 0.0 109.148 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.65 84.72 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG22 HD13 ' A' ' 70' ' ' ILE . 21.9 m -76.35 97.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 125.35 1.46 . . . . 0.0 107.648 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.03 29.95 15.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.206 0.602 . . . . 0.0 111.836 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.41 -2.76 46.53 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.473 -1.182 . . . . 0.0 114.607 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.8 127.22 48.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.395 1.597 . . . . 0.0 109.167 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.84 109.62 21.26 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.419 0.688 . . . . 0.0 110.831 -159.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.79 125.85 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -168.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -87.51 124.79 33.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.377 0.671 . . . . 0.0 110.509 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 32.7 m -152.34 159.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 C-N-CA 125.621 1.568 . . . . 0.0 111.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 134.99 48.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 123.645 0.778 . . . . 0.0 109.024 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -66.47 141.01 58.05 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.555 0.534 . . . . 0.0 111.835 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -135.6 -26.28 1.24 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.962 0.789 . . . . 0.0 111.89 -166.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.65 97.48 2.12 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 127.438 2.295 . . . . 0.0 105.234 171.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 89' ' ' ILE . 20.6 m -91.26 139.95 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 160.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -115.97 117.92 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.204 1.802 . . . . 0.0 106.379 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -78.92 162.71 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.947 0.499 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 158.62 71.12 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 123.098 0.559 . . . . 0.0 110.001 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.75 -20.22 10.67 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.657 2.904 . . . . 0.0 113.199 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.16 -35.33 0.32 Allowed 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.774 0.716 . . . . 0.0 111.949 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.01 153.94 84.72 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.301 1.04 . . . . 0.0 109.834 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.33 58.26 6.91 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 124.17 3.247 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -133.91 -168.1 2.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.925 1.29 . . . . 0.0 109.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 89' ' ' ILE . 15.1 mt -124.86 151.99 44.56 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.725 1.61 . . . . 0.0 109.315 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.93 -34.94 10.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.412 1.485 . . . . 0.0 110.853 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -179.65 158.19 0.79 Allowed 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.329 1.452 . . . . 0.0 109.553 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.739 HG23 HG12 ' A' ' 77' ' ' VAL . 95.4 mt -141.9 146.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -121.21 165.51 15.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.992 165.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.72 157.73 45.94 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 31' ' ' TYR . 22.5 m -118.15 145.85 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 118.016 0.371 . . . . 0.0 110.562 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -53.94 92.4 0.01 OUTLIER 'General case' 0 C--N 1.341 0.238 0 C-N-CA 127.208 2.203 . . . . 0.0 111.77 -169.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.582 170.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 m 55.22 100.01 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.122 2.569 . . . . 0.0 115.072 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -103.63 85.27 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -166.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.58 92.1 0.09 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.136 0.974 . . . . 0.0 111.073 -168.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.56 -161.22 0.84 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.25 147.36 27.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 165.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.86 141.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 121.67 -0.644 . . . . 0.0 110.485 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -134.01 157.42 46.14 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.621 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -136.89 -0.58 2.29 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.939 1.696 . . . . 0.0 113.172 167.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -66.96 10.42 0.14 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.34 2.256 . . . . 0.0 115.739 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -30.05 22.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.56 -12.97 0.42 Allowed Glycine 0 CA--C 1.544 1.894 0 C-N-CA 126.457 1.979 . . . . 0.0 116.679 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp 157.01 -28.97 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 1 C-N-CA 132.341 4.256 . . . . 0.0 111.477 158.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.94 -31.93 58.93 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.257 0.932 . . . . 0.0 112.764 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.05 9.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.459 1.104 . . . . 0.0 110.061 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 m -62.31 -19.83 63.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.711 -0.618 . . . . 0.0 112.512 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.61 -34.44 13.31 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 116.925 -1.512 . . . . 0.0 113.021 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.63 -40.82 63.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.333 1.879 . . . . 0.0 110.224 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -53.97 40.75 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.031 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -60.12 -27.65 67.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.016 0.825 . . . . 0.0 111.906 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.81 -11.53 60.41 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.27 17.96 7.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.24 1.416 . . . . 0.0 112.75 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 65.52 10.33 6.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.587 0.755 . . . . 0.0 112.913 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -86.64 176.68 7.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.301 1.44 . . . . 0.0 108.502 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.2 p90 -159.82 152.97 18.34 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.55 158.28 47.81 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.698 1.599 . . . . 0.0 113.358 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.33 179.28 6.55 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.364 1.066 . . . . 0.0 111.022 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -136.69 158.0 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.606 1.162 . . . . 0.0 110.025 169.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -128.86 104.95 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CE1' HG12 ' A' ' 92' ' ' VAL . 5.0 p90 . . . . . 0 CA--C 1.53 0.196 0 C-N-CA 123.793 0.837 . . . . 0.0 111.464 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.704 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.4 Cg_exo . . . . . 0 CA--C 1.533 0.428 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -151.0 97.56 2.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.45 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 135.61 48.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.25 132.5 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.7 124.8 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.936 1.694 . . . . 0.0 108.788 169.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.53 165.19 28.13 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 121.298 0.571 . . . . 0.0 111.071 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.89 138.71 39.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.25 -50.49 22.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.385 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -26.12 66.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.01 0.823 . . . . 0.0 111.346 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.26 -80.06 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.752 1.621 . . . . 0.0 108.563 166.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CE1' ' A' ' 26' ' ' PHE . 1.9 p -51.37 -27.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -60.93 2.59 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 108.686 171.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.11 -25.27 58.51 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.8 mmt -80.14 -67.29 0.78 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 118.947 0.794 . . . . 0.0 108.868 -175.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.88 -17.44 3.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.109 2.163 . . . . 0.0 112.791 174.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.26 -5.42 22.84 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 125.499 1.52 . . . . 0.0 112.685 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.79 157.46 37.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.404 1.456 . . . . 0.0 110.368 165.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.82 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.438 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -22.89 41.11 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.192 1.397 . . . . 0.0 111.844 171.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 58.1 t80 -76.02 -45.14 36.04 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.343 -0.848 . . . . 0.0 112.894 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -86.74 -29.55 22.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.66 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -86.64 -18.55 31.07 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.846 0.859 . . . . 0.0 111.371 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 145.33 51.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.44 152.12 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.766 0.826 . . . . 0.0 112.413 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HB3' HD11 ' A' ' 4' ' ' ILE . 35.7 mt -116.76 155.17 29.38 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.977 1.711 . . . . 0.0 107.638 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 m -110.01 89.04 2.9 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.549 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mp -66.49 112.86 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 170.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.9 t -93.43 85.55 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 HG22 ' A' ' 63' ' ' ILE . 15.9 m -71.64 96.87 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.445 1.498 . . . . 0.0 108.765 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.64 25.52 8.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.455 1.102 . . . . 0.0 112.605 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.49 -4.55 29.59 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.944 1.259 . . . . 0.0 114.491 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -100.63 126.32 47.11 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 119.318 1.559 . . . . 0.0 108.405 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -102.8 108.49 19.74 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.725 0.41 . . . . 0.0 110.526 -159.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -114.18 125.46 71.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -168.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -87.56 119.27 27.68 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.783 0.833 . . . . 0.0 110.516 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.549 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.5 m -148.86 159.52 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -129.03 133.21 47.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.97 1.308 . . . . 0.0 109.54 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.7 142.9 57.25 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.617 0.573 . . . . 0.0 112.409 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -129.56 -38.44 1.53 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.958 0.903 . . . . 0.0 111.759 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.51 90.44 1.94 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.943 2.097 . . . . 0.0 105.908 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 89' ' ' ILE . 33.7 m -81.06 139.77 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 158.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -116.6 112.44 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -74.78 163.37 27.75 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.928 0.491 . . . . 0.0 109.863 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 159.32 70.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.096 0.558 . . . . 0.0 110.55 168.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.53 -9.27 13.59 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.538 2.825 . . . . 0.0 113.662 -171.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -148.02 -56.21 0.22 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.546 1.066 . . . . 0.0 112.259 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -78.87 154.41 77.99 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.854 1.662 . . . . 0.0 110.201 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.76 76.84 3.91 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.738 2.959 . . . . 0.0 110.982 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -137.4 -168.55 2.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.573 1.549 . . . . 0.0 109.433 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 89' ' ' ILE . 11.7 mt -127.65 153.54 46.34 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.975 2.11 . . . . 0.0 108.399 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.724 1.61 . . . . 0.0 110.448 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -175.79 157.7 2.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 125.575 1.55 . . . . 0.0 108.702 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 86' ' ' LEU . 82.6 mt -144.71 150.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.29 166.14 17.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.396 166.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -139.06 155.84 47.63 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.98 1.312 . . . . 0.0 107.939 170.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.43 HG12 ' CE1' ' A' ' 31' ' ' TYR . 4.8 m -112.1 149.76 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -57.81 93.54 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.691 1.596 . . . . 0.0 111.967 -175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.103 -1.903 . . . . 0.0 112.307 167.511 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 m 56.7 104.22 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.016 2.526 . . . . 0.0 114.141 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.448 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -107.45 85.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-O 121.952 0.882 . . . . 0.0 109.482 -168.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.491 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.9 m120 -59.52 117.9 5.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.28 1.032 . . . . 0.0 109.673 -172.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.38 -161.5 1.04 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.728 1.211 . . . . 0.0 108.473 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.93 140.84 21.07 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 165.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 38' ' ' LEU . 27.3 m -53.92 153.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.797 1.239 . . . . 0.0 111.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' A' ' 16' ' ' ALA . 60.4 mtp180 -130.18 151.99 50.11 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.881 1.272 . . . . 0.0 112.35 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.56 12.96 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.492 2.717 . . . . 0.0 110.379 -175.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -111.27 13.0 21.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.565 1.946 . . . . 0.0 111.233 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -25.96 67.48 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 115.654 -162.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 -0.91 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 128.067 2.746 . . . . 0.0 118.509 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 141.64 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 1 C-N-CA 135.705 5.602 . . . . 0.0 109.974 163.343 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.22 -37.56 38.61 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.199 1.38 . . . . 0.0 113.026 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.43 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -61.63 -55.28 32.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.913 0.885 . . . . 0.0 110.893 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.47 -28.15 58.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.562 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 -32.18 12.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 116.231 -1.842 . . . . 0.0 113.641 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -65.93 -42.11 90.52 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 121.987 2.176 . . . . 0.0 109.619 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -61.23 -60.41 3.79 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.709 1.204 . . . . 0.0 110.75 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -66.49 -19.82 65.88 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 119.066 0.848 . . . . 0.0 112.468 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -16.94 62.6 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.8 -53.8 3.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.205 1.002 . . . . 0.0 110.192 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 p30 136.9 -9.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 1 C-N-CA 132.293 4.237 . . . . 0.0 112.625 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -74.68 173.2 10.81 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.068 1.347 . . . . 0.0 107.59 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 1.3 p90 -156.0 153.28 25.39 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.55 155.44 50.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.024 1.816 . . . . 0.0 112.741 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.3 7.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.842 1.257 . . . . 0.0 110.655 163.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.6 tp -134.57 155.59 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.44 1.496 . . . . 0.0 110.713 174.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.756 HD11 HG13 ' A' ' 63' ' ' ILE . 53.8 mt -125.27 81.29 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 C-N-CA 125.816 1.647 . . . . 0.0 106.604 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.1 Cg_exo . . . . . 0 N--CA 1.451 -0.991 0 N-CA-C 116.879 1.838 . . . . 0.0 116.879 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 HG12 ' A' ' 8' ' ' VAL . 4.0 tt -155.22 108.86 2.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.961 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.77 53.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.954 -0.546 . . . . 0.0 109.746 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.593 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -139.45 146.22 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.983 1.313 . . . . 0.0 108.03 174.765 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -103.21 106.33 16.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.308 3.043 . . . . 0.0 107.157 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.45 167.75 15.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.102 0.953 . . . . 0.0 112.195 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 51.8 t0 -69.58 123.85 22.41 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.013 1.725 . . . . 0.0 108.125 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -52.15 42.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.132 0.573 . . . . 0.0 110.801 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.281 0.491 . . . . 0.0 111.333 -172.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 20.2 ttmm -60.02 -75.08 0.06 Allowed 'General case' 0 C--N 1.344 0.353 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.023 163.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.13 -27.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 119.886 1.221 . . . . 0.0 113.97 -170.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 tpp -50.19 -62.34 1.64 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.135 0.974 . . . . 0.0 108.779 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.8 -20.73 37.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.42 -67.41 0.79 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.31 -18.35 2.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.543 2.337 . . . . 0.0 112.738 174.042 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.57 22.95 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.422 1.489 . . . . 0.0 112.599 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.24 160.82 23.07 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.275 1.398 . . . . 0.0 110.532 166.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -74.03 -24.72 59.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.62 -23.87 18.95 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.736 1.614 . . . . 0.0 111.398 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' HD21 ' A' ' 61' ' ' LEU . 73.0 t80 -73.16 -49.06 30.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 121.126 -0.984 . . . . 0.0 112.536 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 54' ' ' ALA . 13.3 p90 -83.43 -29.38 28.14 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.242 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -84.74 -18.58 34.71 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.404 1.082 . . . . 0.0 111.898 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.75 143.64 47.26 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 147.29 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.711 0.805 . . . . 0.0 112.191 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.6 mt -114.95 161.35 18.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.711 1.604 . . . . 0.0 108.649 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -117.31 97.17 5.76 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 109.664 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.756 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -76.21 111.05 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.0 t -93.62 82.88 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 14.2 m -74.53 99.54 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.114 1.766 . . . . 0.0 106.416 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t70 56.85 30.45 17.89 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.811 0.338 . . . . 0.0 111.669 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.53 58.49 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.657 -1.079 . . . . 0.0 114.46 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -100.07 122.88 43.62 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.154 1.477 . . . . 0.0 108.385 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -98.51 108.83 21.62 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.098 0.959 . . . . 0.0 110.519 -162.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.89 131.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -171.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -85.96 128.01 34.75 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 123.449 0.699 . . . . 0.0 110.474 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 70' ' ' ILE . 32.0 m -151.86 163.16 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -135.25 136.09 41.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.548 1.139 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.99 147.76 51.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -131.19 -38.67 1.21 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.732 1.213 . . . . 0.0 112.33 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -141.75 80.81 1.74 Allowed 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.602 HG12 HG23 ' A' ' 89' ' ' ILE . 25.8 m -77.14 140.77 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 158.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -121.87 114.95 21.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -76.01 162.19 28.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.031 0.532 . . . . 0.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 159.71 72.48 Favored Pre-proline 0 CA--C 1.536 0.441 0 C-N-CA 123.531 0.732 . . . . 0.0 110.778 169.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.82 -8.88 13.32 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.191 2.594 . . . . 0.0 113.77 -173.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -147.27 -55.2 0.23 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.88 1.218 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 83' ' ' LYS . 18.7 ptmt -83.24 157.15 65.92 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.012 1.725 . . . . 0.0 110.269 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.68 74.84 5.28 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.723 2.949 . . . . 0.0 111.167 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 72.7 mmtt -136.86 -167.66 2.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.659 1.584 . . . . 0.0 109.315 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD13 HD11 ' A' ' 89' ' ' ILE . 10.1 mt -133.41 137.85 45.97 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.934 1.694 . . . . 0.0 108.358 -172.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -86.65 -36.69 18.62 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.675 1.19 . . . . 0.0 110.511 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -176.24 154.67 1.4 Allowed 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 124.905 1.282 . . . . 0.0 109.644 -168.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.749 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -139.53 157.36 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -141.07 128.28 20.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.467 1.507 . . . . 0.0 107.521 -169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -125.33 143.53 50.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -93.57 147.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.555 0.616 . . . . 0.0 109.489 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -58.09 89.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.155 2.182 . . . . 0.0 110.329 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.681 1.192 . . . . 0.0 111.734 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m 58.61 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 128.117 2.567 . . . . 0.0 113.981 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.05 82.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -168.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.416 HD22 ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.25 107.39 0.64 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -175.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.86 -161.62 0.76 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.478 1.911 . . . . 0.0 107.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -152.15 142.95 22.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 167.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.48 144.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.642 -0.661 . . . . 0.0 110.835 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -138.15 157.48 46.23 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.077 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -136.57 -2.23 2.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.846 1.658 . . . . 0.0 113.361 168.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.35 13.15 0.18 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.8 2.44 . . . . 0.0 115.348 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -31.63 16.55 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -170.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.34 -1.43 0.03 OUTLIER Glycine 0 CA--C 1.546 1.99 0 C-N-CA 127.738 2.59 . . . . 0.0 117.919 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp 135.4 -25.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 1 C-N-CA 135.574 5.55 . . . . 0.0 110.264 169.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.49 -51.75 21.14 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.566 1.079 . . . . 0.0 111.798 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.09 69.3 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.202 1.401 . . . . 0.0 111.691 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 m -58.42 -29.37 66.06 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.801 -0.562 . . . . 0.0 111.51 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -40.15 15.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 115.941 -1.98 . . . . 0.0 111.793 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.73 78.49 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 122.041 2.201 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -60.7 2.44 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.455 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.12 -20.55 64.18 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-O 118.417 -0.802 . . . . 0.0 112.478 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.34 -15.84 59.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.82 -59.07 2.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.286 1.034 . . . . 0.0 108.868 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.9 p30 136.22 0.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 131.47 3.908 . . . . 0.0 111.813 -162.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -81.33 175.02 10.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 153.69 12.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.45 162.09 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.51 1.473 . . . . 0.0 114.064 -167.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.46 179.96 6.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.602 1.161 . . . . 0.0 111.35 162.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tp -135.52 157.48 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 125.63 1.572 . . . . 0.0 110.2 171.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.402 HG23 HG11 ' A' ' 72' ' ' VAL . 37.1 mt -127.85 94.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -167.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 10.6 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 CA-C-O 120.462 0.109 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tp -148.03 102.72 3.41 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.377 0.608 . . . . 0.0 110.509 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.61 134.35 45.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.441 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -131.07 141.3 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -90.94 113.78 26.09 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 127.586 2.354 . . . . 0.0 107.905 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.22 165.89 22.35 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 111.928 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -77.79 135.78 38.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -70.05 -52.37 24.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.382 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.05 -32.57 71.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.638 0.654 . . . . 0.0 111.964 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -58.72 -77.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.494 1.518 . . . . 0.0 108.67 166.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -60.54 -24.27 31.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 tpp -50.56 -64.32 0.84 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.134 1.374 . . . . 0.0 108.876 167.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -56.32 -18.99 12.38 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.326 0.966 . . . . 0.0 113.429 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -84.72 -65.69 0.98 Allowed 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -60.8 -9.01 3.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.024 1.284 . . . . 0.0 113.962 174.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.72 19.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.308 1.443 . . . . 0.0 111.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.94 158.28 32.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.881 1.218 . . . . 0.0 109.702 161.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.6 58.44 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.52 -19.18 23.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.377 1.871 . . . . 0.0 111.873 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 53.6 t80 -75.38 -46.54 32.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.398 -0.814 . . . . 0.0 112.764 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -85.87 -28.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.0 t -78.31 -37.69 44.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.019 1.328 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.71 148.09 49.9 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -66.9 151.89 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 123.716 0.806 . . . . 0.0 112.652 -167.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' A' ' 4' ' ' ILE . 17.6 mt -115.58 160.83 19.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.161 2.184 . . . . 0.0 108.248 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.5 m -118.14 96.0 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 118.77 0.714 . . . . 0.0 109.454 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.436 HG22 HG13 ' A' ' 65' ' ' VAL . 1.2 mt -80.87 109.08 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 120.399 -1.438 . . . . 0.0 111.99 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 5' ' ' ASN . 47.2 t -94.63 81.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.973 1.709 . . . . 0.0 108.228 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG22 HD13 ' A' ' 70' ' ' ILE . 34.7 m -74.5 94.93 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 126.21 1.804 . . . . 0.0 108.868 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.32 24.61 10.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.141 0.976 . . . . 0.0 112.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -2.86 34.48 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.823 1.201 . . . . 0.0 114.345 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -92.8 119.28 31.99 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.25 102.48 13.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.005 0.82 . . . . 0.0 110.679 -163.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.532 HG22 HG13 ' A' ' 72' ' ' VAL . 1.8 mp -105.91 127.06 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -167.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 14.4 mmtm -83.54 122.98 29.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.951 0.5 . . . . 0.0 110.506 175.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 70' ' ' ILE . 33.1 m -154.16 162.39 2.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 125.011 1.324 . . . . 0.0 112.194 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.4 137.35 24.26 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 138.83 56.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.177 0.923 . . . . 0.0 112.358 -169.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -16.18 7.97 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.356 1.035 . . . . 0.0 111.646 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -159.52 125.39 4.29 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.433 1.893 . . . . 0.0 106.64 164.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.7 m -103.72 143.45 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 160.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -120.82 98.85 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -163.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -77.48 161.85 27.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.847 0.859 . . . . 0.0 111.617 -170.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 159.52 33.32 Favored Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 122.655 0.382 . . . . 0.0 110.588 159.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.48 -24.24 2.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.537 2.825 . . . . 0.0 113.482 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -147.56 11.19 0.98 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.072 0.949 . . . . 0.0 112.052 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -131.84 155.42 81.4 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 125.29 1.436 . . . . 0.0 108.488 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.55 49.13 2.97 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.439 3.426 . . . . 0.0 111.119 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -118.32 -176.9 3.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.021 1.728 . . . . 0.0 109.517 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 89' ' ' ILE . 13.3 mt -121.84 164.99 16.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.068 1.747 . . . . 0.0 108.964 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.58 -27.56 3.11 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.796 2.439 . . . . 0.0 109.834 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 178.86 163.78 0.81 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 126.754 2.022 . . . . 0.0 109.265 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 73.2 mt -148.9 149.66 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 125.666 1.586 . . . . 0.0 106.993 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -120.83 155.03 34.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 164.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.31 149.62 52.48 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.35 148.94 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 118.409 0.549 . . . . 0.0 109.824 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -58.16 93.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.861 2.065 . . . . 0.0 110.52 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.794 -1.574 . . . . 0.0 111.727 170.543 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.8 m 62.73 95.86 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.782 2.833 . . . . 0.0 112.542 172.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.48 84.1 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -166.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -60.24 117.59 5.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.24 -161.37 1.02 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.21 1.404 . . . . 0.0 108.059 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -158.08 139.82 13.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.438 1.895 . . . . 0.0 105.951 168.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.86 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 O-C-N 121.65 -0.656 . . . . 0.0 111.551 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -140.31 143.32 35.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.082 175.342 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 mmpt? -124.48 5.1 8.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.356 1.462 . . . . 0.0 112.951 173.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.43 11.49 2.97 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.235 2.214 . . . . 0.0 113.713 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -37.25 7.3 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.258 1.823 . . . . 0.0 115.426 -168.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.21 0.55 0.01 OUTLIER Glycine 0 CA--C 1.538 1.482 0 C-N-CA 130.359 3.838 . . . . 0.0 119.367 -170.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 140.54 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 1 C-N-CA 136.769 6.028 . . . . 0.0 108.193 170.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.86 83.61 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.671 1.605 . . . . 0.0 113.607 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.46 27.35 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 118.548 1.174 . . . . 0.0 110.203 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -61.21 -20.17 62.48 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.068 -1.02 . . . . 0.0 112.559 -170.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -29.48 14.61 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.212 1.805 . . . . 0.0 113.411 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -77.09 -38.53 52.17 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.931 1.696 . . . . 0.0 109.89 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 41' ' ' GLU . 3.0 mp -58.71 -57.81 11.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.69 1.196 . . . . 0.0 110.125 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -63.09 -20.45 65.36 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.072 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.52 -15.28 59.92 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.49 -85.51 0.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 165.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.08 3.63 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 129.354 3.062 . . . . 0.0 110.85 173.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.11 176.42 8.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.8 2.04 . . . . 0.0 106.478 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.8 p90 -161.15 152.96 16.37 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -73.6 152.58 48.44 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.69 1.593 . . . . 0.0 112.364 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.33 179.96 6.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.009 1.324 . . . . 0.0 110.792 162.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -136.79 156.19 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 C-N-CA 124.144 0.977 . . . . 0.0 109.974 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.642 HD11 HG13 ' A' ' 63' ' ' ILE . 57.3 mt -127.15 93.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' PRO 0.251 5.5 p90 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 11.3 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 CA-C-O 120.746 0.227 . . . . 0.0 112.119 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -151.77 98.06 2.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.347 0.594 . . . . 0.0 110.014 -166.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' CZ ' ' A' ' 9' ' ' ARG . . . -66.93 132.94 49.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.26 142.85 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 179.032 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 20' ' ' LEU . 20.1 tt0 -93.46 113.92 26.18 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 128.026 2.53 . . . . 0.0 107.829 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.54 164.88 26.17 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.85 0.834 . . . . 0.0 111.194 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.0 132.88 40.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.263 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -66.89 -50.25 63.04 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.393 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.48 -34.78 76.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.384 0.538 . . . . 0.0 111.444 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -62.73 -73.79 0.1 Allowed 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -58.93 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -169.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 tpp -51.13 -63.38 1.15 Allowed 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.488 1.115 . . . . 0.0 108.542 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -56.87 -19.0 15.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.31 -67.78 0.76 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -60.41 -7.75 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 176.133 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -1.55 20.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.434 1.494 . . . . 0.0 111.877 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 158.99 31.95 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.012 1.278 . . . . 0.0 110.066 162.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -23.15 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.25 -20.6 28.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.191 1.796 . . . . 0.0 111.598 172.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 53.0 t80 -70.8 -52.11 22.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.191 -0.943 . . . . 0.0 112.073 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -81.46 -28.65 34.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.939 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -78.97 -34.74 43.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.924 1.29 . . . . 0.0 110.991 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 127.9 45.26 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -169.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.97 145.06 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.018 1.727 . . . . 0.0 113.3 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 8.3 mt -113.29 157.67 21.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.911 1.284 . . . . 0.0 108.194 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 3' ' ' THR . 8.7 m -113.41 100.51 8.59 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.18 0.514 . . . . 0.0 109.623 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.642 HG13 HD11 ' A' ' 30' ' ' ILE . 5.2 mm -80.2 104.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 124.912 1.285 . . . . 0.0 108.207 -177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.53 81.99 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 HD13 ' A' ' 70' ' ' ILE . 16.2 m -74.6 99.6 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.3 t70 56.06 30.93 17.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.012 0.434 . . . . 0.0 111.625 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.48 -3.0 57.66 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 118.581 -1.122 . . . . 0.0 114.578 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -101.1 125.05 47.69 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 119.305 1.552 . . . . 0.0 108.676 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -101.36 107.18 18.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.617 0.767 . . . . 0.0 111.283 -159.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.81 126.74 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -168.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.6 mmtm -85.67 124.51 32.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.548 0.739 . . . . 0.0 110.926 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG13 HG22 ' A' ' 70' ' ' ILE . 25.5 m -150.77 160.82 3.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 124.656 1.182 . . . . 0.0 113.416 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -132.9 134.97 45.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.624 1.17 . . . . 0.0 109.529 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 139.51 58.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.704 0.628 . . . . 0.0 112.158 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -28.73 4.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.276 1.03 . . . . 0.0 111.402 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.72 116.35 2.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.892 2.077 . . . . 0.0 106.072 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -93.52 141.73 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 159.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -122.03 100.81 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.796 2.038 . . . . 0.0 105.734 -171.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -76.7 166.01 23.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.188 1.795 . . . . 0.0 111.14 -168.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.41 159.62 11.48 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 122.68 0.392 . . . . 0.0 110.844 159.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -84.36 -21.24 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.931 2.421 . . . . 0.0 113.18 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -149.34 9.83 0.75 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.924 0.89 . . . . 0.0 112.866 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -135.77 157.02 76.97 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 124.848 1.259 . . . . 0.0 109.004 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.67 55.44 5.51 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.184 3.256 . . . . 0.0 111.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.58 -174.04 2.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.097 1.759 . . . . 0.0 110.187 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -124.98 162.05 25.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.106 1.762 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.9 -25.27 3.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.269 2.228 . . . . 0.0 110.409 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -176.09 159.03 2.06 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.603 1.561 . . . . 0.0 109.178 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 87.2 mt -146.74 152.5 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -124.06 159.35 30.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 165.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.6 156.8 48.06 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 106.608 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.77 147.45 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 118.575 0.625 . . . . 0.0 109.612 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -53.3 90.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.613 2.365 . . . . 0.0 111.034 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.409 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.574 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.6 m 63.59 100.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.837 2.855 . . . . 0.0 112.731 170.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 84.57 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -164.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -64.47 96.41 0.16 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.754 1.222 . . . . 0.0 110.195 -168.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -101.1 -158.54 0.68 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.163 0.985 . . . . 0.0 108.436 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -161.95 133.28 5.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.578 1.951 . . . . 0.0 106.288 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.7 140.22 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 C-N-CA 123.502 0.721 . . . . 0.0 111.308 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.59 148.73 36.32 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.276 178.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.9 mmpt? -133.69 -2.97 2.96 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.369 1.467 . . . . 0.0 113.245 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.99 13.87 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 129.026 2.93 . . . . 0.0 115.138 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -45.04 30.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -166.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -14.03 -63.1 0.01 OUTLIER Glycine 0 N--CA 1.473 1.111 0 C-N-CA 129.696 3.522 . . . . 0.0 114.036 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -171.1 -11.53 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 128.289 2.635 . . . . 0.0 109.212 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.5 -38.98 52.3 Favored Glycine 0 C--N 1.344 0.988 0 C-N-CA 126.574 2.035 . . . . 0.0 114.062 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . . . -80.04 -48.06 13.9 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 123.551 0.74 . . . . 0.0 110.954 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 -27.86 66.81 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -74.79 -57.22 4.05 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 115.955 -1.974 . . . . 0.0 109.069 170.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 13.4 ptp180 -63.55 -42.75 98.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.774 2.079 . . . . 0.0 110.149 -164.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.05 -61.71 2.26 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.751 1.22 . . . . 0.0 110.01 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.4 -23.28 62.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.954 0.902 . . . . 0.0 112.402 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.46 -13.02 55.65 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.632 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.77 -85.12 0.45 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 164.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.75 5.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.263 1.825 . . . . 0.0 112.288 -174.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.54 174.85 6.64 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.381 1.872 . . . . 0.0 106.526 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.04 152.56 8.63 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -70.66 163.05 40.37 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.478 1.452 . . . . 0.0 113.048 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.51 179.41 6.57 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.281 1.432 . . . . 0.0 109.706 159.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -135.24 156.57 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.601 1.16 . . . . 0.0 110.214 169.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' ' 63' ' ' ILE . 75.7 mt -117.82 93.16 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 110.413 173.68 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 115.429 1.28 . . . . 0.0 115.429 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tp -158.83 100.83 1.61 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 122.677 0.391 . . . . 0.0 110.152 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.07 137.83 40.43 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.432 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.12 131.93 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.592 1.557 . . . . 0.0 108.031 -174.078 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.98 126.92 31.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 127.868 2.467 . . . . 0.0 108.668 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.45 168.32 20.01 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 121.701 0.763 . . . . 0.0 112.363 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' H ' ' HZ1' ' A' ' 46' ' ' LYS . 18.8 t70 -77.01 137.35 38.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.984 1.314 . . . . 0.0 109.239 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.447 ' HD1' HD12 ' A' ' 86' ' ' LEU . 6.6 t60 -72.14 -54.35 10.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.939 176.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.24 -30.46 69.42 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.907 0.776 . . . . 0.0 112.115 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ1' ' H ' ' A' ' 43' ' ' ASP . 27.8 ttpt -59.84 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.944 2.098 . . . . 0.0 109.681 167.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.12 -27.4 9.65 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 tpp -50.66 -65.06 0.62 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.62 1.168 . . . . 0.0 109.222 167.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 -18.27 7.16 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mmt -84.51 -66.69 0.87 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 118.358 -0.83 . . . . 0.0 108.776 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.6 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.02 -8.38 3.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.007 1.276 . . . . 0.0 113.916 175.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -1.19 17.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.387 1.475 . . . . 0.0 111.847 174.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 158.28 34.63 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.95 1.25 . . . . 0.0 109.888 160.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.22 60.29 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -56.15 -21.03 20.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.957 1.703 . . . . 0.0 111.776 171.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.0 t80 -72.12 -49.6 34.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.172 -0.955 . . . . 0.0 112.471 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -85.65 -25.5 26.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.456 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -83.39 -30.34 27.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.106 1.362 . . . . 0.0 110.979 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 127.78 44.09 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -173.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.49 145.04 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.969 1.708 . . . . 0.0 112.903 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 56' ' ' PHE . 39.1 mt -110.88 157.62 19.64 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.91 1.684 . . . . 0.0 108.038 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.1 m -111.78 98.46 7.41 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 30' ' ' ILE . 5.3 mm -73.65 111.07 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 O-C-N 120.99 -1.069 . . . . 0.0 108.722 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.72 83.59 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -72.23 95.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 125.779 1.632 . . . . 0.0 108.532 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.28 25.97 8.02 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.424 1.09 . . . . 0.0 112.468 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 -4.77 27.97 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.907 1.242 . . . . 0.0 114.695 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -101.06 126.04 47.72 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.432 1.616 . . . . 0.0 108.325 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -103.1 108.59 19.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.983 0.513 . . . . 0.0 110.725 -159.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.618 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.0 128.76 69.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -170.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 mmtm -83.25 124.61 30.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.468 0.707 . . . . 0.0 111.166 172.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG13 HG22 ' A' ' 70' ' ' ILE . 19.6 m -151.47 162.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 C-N-CA 124.881 1.273 . . . . 0.0 112.85 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -135.65 128.58 31.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -63.19 127.47 31.41 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 124.504 1.128 . . . . 0.0 110.683 -177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 -16.22 10.56 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.256 0.973 . . . . 0.0 111.499 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -161.84 126.06 3.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 160.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.703 HG12 HG23 ' A' ' 89' ' ' ILE . 26.8 m -98.82 144.1 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 162.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.5 104.01 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -75.29 166.47 23.56 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.104 0.962 . . . . 0.0 110.362 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 162.26 51.13 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.651 0.78 . . . . 0.0 110.687 164.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.94 -24.8 2.57 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.486 2.791 . . . . 0.0 112.917 -171.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -147.71 10.22 0.93 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.702 1.201 . . . . 0.0 112.167 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -124.18 159.13 58.34 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 125.472 1.509 . . . . 0.0 108.425 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.76 9.05 2.07 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.715 2.943 . . . . 0.0 112.843 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -78.0 -177.77 5.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.49 1.116 . . . . 0.0 109.834 -175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 89' ' ' ILE . 11.9 mt -117.45 162.65 17.62 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.409 1.484 . . . . 0.0 108.309 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -123.18 -28.44 4.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.875 2.07 . . . . 0.0 111.014 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -178.37 162.11 1.46 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.528 1.531 . . . . 0.0 109.295 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 77' ' ' VAL . 72.3 mt -147.24 146.06 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.33 155.56 29.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.78 0.832 . . . . 0.0 108.818 167.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -131.34 154.35 48.67 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.804 1.642 . . . . 0.0 107.325 165.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.2 158.8 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 118.066 -0.968 . . . . 0.0 108.628 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -62.25 100.98 0.19 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.133 0.878 . . . . 0.0 109.9 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.456 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.449 166.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 119.536 -0.268 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 59.14 104.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.28 2.632 . . . . 0.0 114.619 170.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.58 84.78 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -169.672 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.41 100.79 0.27 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.011 0.925 . . . . 0.0 110.546 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.17 -160.12 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.03 139.0 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.1 m -63.29 134.98 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.71 -0.619 . . . . 0.0 110.841 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -129.59 148.34 51.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 174.317 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -128.44 -1.47 5.59 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.912 2.085 . . . . 0.0 112.49 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.96 14.29 0.3 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.158 2.583 . . . . 0.0 114.416 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -31.66 32.46 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.19 -14.58 1.34 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.459 1.981 . . . . 0.0 116.391 -172.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 166.28 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 130.755 3.622 . . . . 0.0 109.747 158.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.93 98.02 Favored Glycine 0 C--N 1.344 0.992 0 C-N-CA 124.496 1.046 . . . . 0.0 112.683 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . . . -64.03 -47.78 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.493 0.717 . . . . 0.0 111.447 173.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -55.92 -33.9 65.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.597 0.237 . . . . 0.0 111.462 -172.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -34.58 14.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 116.632 -1.652 . . . . 0.0 112.379 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 7.5 ptt180 -71.54 -41.07 69.6 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.047 1.749 . . . . 0.0 110.907 177.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.75 -59.64 5.06 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.354 1.062 . . . . 0.0 109.573 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -57.76 -25.79 60.97 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.126 0.891 . . . . 0.0 111.433 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 -11.72 60.02 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.97 19.06 7.13 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.22 1.808 . . . . 0.0 112.577 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 66.47 7.71 5.23 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -84.19 177.59 8.15 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 159.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.78 154.77 9.09 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -70.33 159.94 51.26 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 121.483 1.455 . . . . 0.0 113.479 -172.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 174.51 11.1 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.329 1.452 . . . . 0.0 109.596 160.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -130.76 156.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 125.348 1.459 . . . . 0.0 109.771 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -126.86 94.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' HG12 ' A' ' 92' ' ' VAL 0.284 6.8 p90 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.459 -0.554 0 CA-C-O 120.576 0.156 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -157.29 98.8 1.74 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 109.521 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.94 132.96 46.0 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.495 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.87 129.14 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.128 1.371 . . . . 0.0 108.621 -174.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -81.93 116.2 21.46 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 130.513 3.525 . . . . 0.0 109.58 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.02 167.01 21.4 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.076 0.55 . . . . 0.0 111.833 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.09 134.26 42.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -54.11 10.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.918 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -23.61 65.67 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.871 0.759 . . . . 0.0 111.886 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -58.9 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.895 1.678 . . . . 0.0 109.274 161.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -50.28 -26.64 3.55 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -49.8 -63.52 1.09 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 124.809 1.243 . . . . 0.0 109.595 168.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -55.65 -24.4 33.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.3 mmt -82.36 -65.57 0.99 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -174.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.4 -17.72 3.38 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.871 2.069 . . . . 0.0 113.162 172.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.27 -3.03 21.25 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 112.862 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 157.58 35.35 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.472 1.487 . . . . 0.0 109.97 163.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.58 61.03 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.14 -23.1 32.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 41.7 t80 -76.09 -43.84 41.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.168 -0.957 . . . . 0.0 112.915 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -86.39 -29.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.117 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.7 t -79.25 -28.21 42.4 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.393 1.077 . . . . 0.0 110.906 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 144.11 51.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -174.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.85 149.18 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.434 1.094 . . . . 0.0 112.777 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 56' ' ' PHE . 24.2 mt -115.3 160.64 19.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.553 1.941 . . . . 0.0 108.44 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -117.64 95.69 5.05 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.943 0.792 . . . . 0.0 108.997 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mt -83.16 108.28 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 O-C-N 120.787 -1.196 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -92.55 83.16 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -171.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 HD13 ' A' ' 70' ' ' ILE . 5.0 m -74.53 94.53 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 C-N-CA 126.269 1.828 . . . . 0.0 107.44 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 57.71 27.29 14.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 0.0 112.295 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.71 31.42 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.686 -1.064 . . . . 0.0 114.201 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -97.42 120.66 38.19 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.177 1.488 . . . . 0.0 108.927 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -90.57 112.92 24.8 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.718 0.807 . . . . 0.0 111.093 -167.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.502 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.45 123.98 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.9 mmtm -83.15 122.11 27.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.418 0.687 . . . . 0.0 110.37 176.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 70' ' ' ILE . 27.3 m -149.54 155.61 8.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 C-N-CA 125.255 1.422 . . . . 0.0 112.278 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -126.46 131.73 51.6 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -64.27 137.6 58.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.05 0.843 . . . . 0.0 111.064 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -127.47 -34.64 2.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.243 1.417 . . . . 0.0 110.482 -165.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -154.11 107.41 2.91 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.282 1.433 . . . . 0.0 107.146 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.682 HG12 HG23 ' A' ' 89' ' ' ILE . 22.5 m -85.74 148.96 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 165.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -126.99 107.52 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -167.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -84.27 166.56 17.39 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.39 1.076 . . . . 0.0 111.898 -170.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 162.94 40.68 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.562 0.745 . . . . 0.0 111.101 164.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.36 -33.58 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.904 2.402 . . . . 0.0 112.839 -171.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.75 -12.25 1.75 Allowed 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.25 1.02 . . . . 0.0 113.122 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.57 160.14 27.09 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.412 . . . . 0.0 108.908 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.59 9.15 1.64 Allowed 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.592 2.861 . . . . 0.0 113.505 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -79.86 -169.69 2.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.134 2.174 . . . . 0.0 111.509 -171.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 89' ' ' ILE . 11.1 mt -125.46 158.04 35.43 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.839 2.055 . . . . 0.0 108.82 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -122.81 -23.76 4.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.88 1.672 . . . . 0.0 111.333 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -174.05 161.6 3.66 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 125.04 1.336 . . . . 0.0 109.742 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.682 HG23 HG12 ' A' ' 77' ' ' VAL . 78.1 mt -146.28 144.88 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -115.85 125.74 53.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -112.07 160.98 16.99 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 161.602 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 31' ' ' TYR . 17.1 m -122.01 151.52 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.503 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -53.52 93.25 0.01 OUTLIER 'General case' 0 C--N 1.343 0.325 0 C-N-CA 126.6 1.96 . . . . 0.0 110.766 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.929 171.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m 62.56 114.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.097 2.559 . . . . 0.0 113.399 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.39 81.4 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.166 0.986 . . . . 0.0 108.365 -168.261 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.68 119.18 7.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -124.33 -161.86 1.03 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.041 1.337 . . . . 0.0 107.799 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.56 142.74 20.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 165.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 m -63.62 141.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.203 0.525 . . . . 0.0 110.799 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -137.72 155.69 48.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.509 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.1 mmpt? -134.57 -0.51 2.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.163 1.385 . . . . 0.0 112.872 168.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 11.57 0.61 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.066 2.146 . . . . 0.0 114.248 -176.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -38.29 9.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.892 2.077 . . . . 0.0 115.923 -166.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 7.65 0.01 OUTLIER Glycine 0 CA--C 1.545 1.938 0 C-N-CA 130.066 3.698 . . . . 0.0 120.143 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp 131.49 -27.48 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 1 C-N-CA 136.863 6.065 . . . . 0.0 109.477 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.76 -54.74 26.63 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.063 1.316 . . . . 0.0 112.176 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.58 64.04 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -64.18 -22.0 66.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -167.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -38.23 17.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 116.637 -1.649 . . . . 0.0 111.269 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -69.89 -34.89 74.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.034 1.743 . . . . 0.0 110.691 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -55.72 10.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.863 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -26.36 66.96 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.974 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.52 60.23 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.54 15.11 8.84 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.718 1.607 . . . . 0.0 112.826 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 65.93 9.28 5.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.77 0.828 . . . . 0.0 113.222 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -81.78 175.96 10.0 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.035 1.334 . . . . 0.0 108.443 165.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE1' HG11 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -159.94 153.84 19.53 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -77.12 160.75 33.0 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.679 1.586 . . . . 0.0 113.245 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.48 -178.35 5.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.479 1.111 . . . . 0.0 111.037 165.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -141.48 158.59 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.479 1.111 . . . . 0.0 110.224 175.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.625 HD11 HG13 ' A' ' 63' ' ' ILE . 55.2 mt -130.0 93.44 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.966 1.706 . . . . 0.0 106.51 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -166.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.752 ' HB2' HD11 ' A' ' 29' ' ' ILE . 83.5 Cg_exo . . . . . 0 CA--C 1.532 0.411 0 N-CA-C 117.336 2.014 . . . . 0.0 117.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -150.3 102.91 3.11 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.257 1.023 . . . . 0.0 109.764 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.25 136.04 46.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.019 0.528 . . . . 0.0 109.957 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.02 141.07 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.153 1.381 . . . . 0.0 107.497 179.282 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -89.21 117.83 28.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.744 2.418 . . . . 0.0 108.548 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.84 168.34 19.24 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.35 0.595 . . . . 0.0 111.211 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.2 132.57 41.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.357 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -66.68 -49.43 66.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.406 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.48 -27.43 63.23 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.853 0.752 . . . . 0.0 111.759 -170.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 50' ' ' MET . 23.1 ttmm -57.56 -77.71 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 CA-C-O 117.544 -1.217 . . . . 0.0 108.001 161.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' CE1' ' A' ' 26' ' ' PHE . 3.3 p -56.4 -26.06 21.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 CA-C-N 119.804 1.184 . . . . 0.0 113.39 -167.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.45 ' HA ' HD11 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -46.91 -64.26 0.82 Allowed 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 126.173 1.789 . . . . 0.0 109.34 167.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.83 -19.19 49.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -86.19 -68.72 0.72 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -61.6 -8.4 4.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 178.383 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -58.02 -22.62 50.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.952 1.301 . . . . 0.0 112.442 173.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HE2' ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -127.38 152.82 46.99 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 118.71 0.686 . . . . 0.0 112.435 -168.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.13 74.99 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 -166.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.0 -38.37 85.88 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.815 1.246 . . . . 0.0 110.007 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 8.6 t80 -56.89 -46.03 82.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 120.521 1.51 . . . . 0.0 111.127 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.09 59.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.83 -176.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.3 t -85.04 -16.17 41.6 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.107 0.963 . . . . 0.0 111.552 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.21 172.22 8.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.319 1.448 . . . . 0.0 107.361 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.56 151.37 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 123.43 0.692 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.7 mt -118.72 157.47 27.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.48 1.912 . . . . 0.0 108.067 174.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -112.02 106.73 15.46 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.625 HG13 HD11 ' A' ' 30' ' ' ILE . 5.5 mm -85.07 104.74 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 125.081 1.352 . . . . 0.0 107.965 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.42 82.71 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 9.7 m -74.33 100.3 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 56.34 30.22 16.46 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.239 0.472 . . . . 0.0 111.863 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.42 -2.22 57.48 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 118.712 -1.049 . . . . 0.0 114.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 10.4 mtmt -102.84 124.44 48.37 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.064 1.432 . . . . 0.0 108.551 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -100.76 107.43 19.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.7 0.8 . . . . 0.0 110.854 -159.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.45 127.5 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -169.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -86.9 126.68 34.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.679 -0.638 . . . . 0.0 110.73 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG13 HG22 ' A' ' 70' ' ' ILE . 27.1 m -152.1 161.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.848 1.259 . . . . 0.0 113.169 177.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -131.61 136.03 47.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.91 0.884 . . . . 0.0 109.404 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.84 143.76 41.23 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.456 0.702 . . . . 0.0 112.149 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -135.61 -29.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.967 0.792 . . . . 0.0 111.527 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -158.39 100.32 1.65 Allowed 'General case' 0 C--N 1.341 0.226 0 C-N-CA 127.234 2.213 . . . . 0.0 105.986 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.798 HG12 HG23 ' A' ' 89' ' ' ILE . 21.3 m -93.85 136.15 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 161.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -98.17 139.09 34.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -126.91 146.52 50.28 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 109.631 -168.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 164.16 58.66 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 123.111 0.564 . . . . 0.0 110.622 -173.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.34 -5.47 11.04 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.918 2.412 . . . . 0.0 113.72 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -135.95 -61.66 0.7 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.055 0.843 . . . . 0.0 110.036 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -80.68 168.19 27.13 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.317 1.847 . . . . 0.0 109.445 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.59 0.48 9.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.176 1.917 . . . . 0.0 114.167 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.76 158.36 3.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.424 1.489 . . . . 0.0 114.023 -163.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 89' ' ' ILE . 9.2 mt -115.74 106.57 14.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.328 1.051 . . . . 0.0 109.366 -158.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.06 -27.53 65.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.35 173.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 178.44 158.14 0.49 Allowed 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.046 1.738 . . . . 0.0 109.343 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.798 HG23 HG12 ' A' ' 77' ' ' VAL . 90.1 mt -145.45 148.64 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 C-N-CA 125.932 1.693 . . . . 0.0 106.455 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -126.39 162.79 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.605 0.762 . . . . 0.0 109.114 168.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.01 151.97 51.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.9 m -104.69 147.57 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -56.57 91.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.22 2.208 . . . . 0.0 110.993 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.132 0 C-N-CA 124.166 0.986 . . . . 0.0 111.762 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m 64.01 108.03 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 113.782 173.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.93 84.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 123.721 0.808 . . . . 0.0 109.239 -168.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.44 114.89 3.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -128.41 -166.26 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.768 2.027 . . . . 0.0 108.976 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -152.81 108.43 3.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.329 1.052 . . . . 0.0 109.971 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 65' ' ' VAL . 18.3 m -49.54 118.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 118.247 0.476 . . . . 0.0 110.735 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -130.72 145.35 51.92 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.381 -174.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.1 mmpt? -126.49 -5.07 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.63 13.54 0.07 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.684 2.794 . . . . 0.0 115.249 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -34.7 16.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -172.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.71 -10.91 0.27 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 127.18 2.324 . . . . 0.0 116.601 -175.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 149.06 -19.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 1 C-N-CA 133.266 4.626 . . . . 0.0 110.868 159.393 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.76 -34.52 61.07 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 118.906 0.775 . . . . 0.0 112.87 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.08 -47.91 12.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.383 1.073 . . . . 0.0 110.861 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -57.52 -30.43 65.16 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.708 -0.62 . . . . 0.0 111.301 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -45.77 13.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.64 1.976 . . . . 0.0 111.038 176.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 121.811 2.096 . . . . 0.0 110.566 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.38 -61.88 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.395 1.078 . . . . 0.0 110.187 177.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -64.18 -19.69 65.49 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.431 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.37 -14.97 60.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.54 -88.59 0.34 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 169.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.77 7.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.863 2.465 . . . . 0.0 111.394 171.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -78.56 175.56 10.25 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 108.313 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.58 153.83 16.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -73.81 162.11 40.13 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.715 1.61 . . . . 0.0 113.55 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.83 177.86 8.05 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.306 1.042 . . . . 0.0 110.323 159.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -136.17 152.86 30.74 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 125.86 1.664 . . . . 0.0 109.802 171.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.501 HG23 HG11 ' A' ' 72' ' ' VAL . 31.6 mt -125.4 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.25 3.1 p90 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 29' ' ' ILE . 93.8 Cg_exo . . . . . 0 N--CA 1.462 -0.369 0 N-CA-C 115.831 1.435 . . . . 0.0 115.831 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 8' ' ' VAL . 12.7 tp -149.76 107.03 3.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.101 0.96 . . . . 0.0 109.26 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.52 133.19 47.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.084 0.553 . . . . 0.0 109.712 167.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.473 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.82 145.44 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 125.223 1.409 . . . . 0.0 107.591 178.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -104.74 106.69 17.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.911 1.684 . . . . 0.0 107.617 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.26 165.8 16.33 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-O 121.967 0.889 . . . . 0.0 111.875 -172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 125.2 28.92 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.297 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -62.91 -52.51 62.78 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.638 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.03 -32.3 72.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.832 0.742 . . . . 0.0 111.961 -173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -60.98 -75.05 0.07 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.793 -1.099 . . . . 0.0 108.626 167.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.33 -25.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-N 119.626 1.103 . . . . 0.0 113.862 -170.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -62.23 1.72 Allowed 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 125.908 1.683 . . . . 0.0 108.632 170.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.67 -22.88 48.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.45 -67.37 0.79 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -53.47 -18.83 3.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.506 2.323 . . . . 0.0 112.692 173.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 -1.18 9.42 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 125.715 1.606 . . . . 0.0 112.524 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 161.77 22.84 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.241 1.382 . . . . 0.0 110.603 160.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.06 -20.59 52.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.91 -21.17 57.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.68 1.592 . . . . 0.0 110.918 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 61.1 t80 -70.87 -53.03 16.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.261 -0.899 . . . . 0.0 111.946 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -80.69 -30.69 36.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.004 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -74.94 -39.81 61.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.101 0.96 . . . . 0.0 110.225 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 130.94 53.43 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -167.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.88 148.78 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.834 1.253 . . . . 0.0 113.277 -167.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 4' ' ' ILE . 34.8 mt -112.87 151.43 30.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.081 1.353 . . . . 0.0 107.879 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -107.49 86.67 2.34 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.632 HG22 HG13 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -65.15 113.25 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.743 -1.223 . . . . 0.0 109.14 172.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.0 t -97.78 90.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 124.786 1.235 . . . . 0.0 108.625 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.706 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.4 m -84.42 103.83 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 109.537 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 52.66 29.78 7.82 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.09 0.471 . . . . 0.0 111.078 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.98 -0.06 58.91 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 118.63 -1.095 . . . . 0.0 114.676 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -99.41 126.76 45.36 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.316 1.558 . . . . 0.0 107.705 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -104.74 108.15 19.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.283 0.492 . . . . 0.0 110.668 -159.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 65' ' ' VAL . 1.9 mp -111.08 125.77 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 108.714 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -87.86 120.09 28.85 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.518 0.727 . . . . 0.0 110.271 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.539 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.0 m -148.51 159.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 113.191 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -131.76 133.33 44.66 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.142 0.977 . . . . 0.0 109.4 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.61 134.53 51.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.296 0.998 . . . . 0.0 111.63 -171.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 -46.17 4.76 Favored 'General case' 0 CA--C 1.527 0.061 0 C-N-CA 125.182 1.393 . . . . 0.0 110.443 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.03 118.11 4.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.732 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -95.48 131.76 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 165.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -99.84 105.63 17.4 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.526 1.93 . . . . 0.0 105.884 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.0 163.85 27.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.273 1.029 . . . . 0.0 109.959 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.69 160.28 80.42 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.185 0.594 . . . . 0.0 110.508 165.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -84.86 -26.03 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.834 3.022 . . . . 0.0 113.289 -172.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -141.85 2.3 1.55 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.626 1.571 . . . . 0.0 112.306 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.18 155.43 67.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 C-N-CA 124.724 1.21 . . . . 0.0 109.15 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -78.77 62.88 8.5 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.739 2.959 . . . . 0.0 108.964 166.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -132.05 -177.81 4.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.632 1.173 . . . . 0.0 109.056 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 89' ' ' ILE . 19.5 mt -122.32 156.3 34.17 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 126.278 1.831 . . . . 0.0 108.78 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -117.48 -30.21 5.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.103 1.761 . . . . 0.0 110.808 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -178.69 162.14 1.34 Allowed 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.64 1.576 . . . . 0.0 109.803 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.732 HG23 HG12 ' A' ' 77' ' ' VAL . 72.2 mt -144.75 144.54 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -116.28 132.06 56.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.092 2.157 . . . . 0.0 106.61 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.4 157.05 31.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.33 153.61 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -57.58 98.74 0.03 OUTLIER 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.171 0.989 . . . . 0.0 110.943 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.439 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.528 -0.748 . . . . 0.0 111.226 161.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 64.8 109.8 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.664 2.785 . . . . 0.0 113.033 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.94 81.56 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.138 0.975 . . . . 0.0 108.517 -168.807 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.457 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.6 m120 -60.17 117.41 5.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.985 -174.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.77 -161.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 107.88 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -157.13 140.02 15.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.55 142.01 17.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-O 121.277 0.561 . . . . 0.0 110.894 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -136.2 157.7 46.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.597 173.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.0 mmpt? -135.11 -0.34 2.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.735 1.214 . . . . 0.0 112.831 169.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.13 14.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.072 1.749 . . . . 0.0 113.517 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -34.0 9.68 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.793 2.037 . . . . 0.0 115.149 -172.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.5 -25.16 0.27 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 127.484 2.469 . . . . 0.0 116.226 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 167.36 -26.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 130.659 3.583 . . . . 0.0 109.225 158.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.46 66.56 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.21 1.386 . . . . 0.0 112.925 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.23 39.97 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -58.43 -27.89 64.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.39 -0.819 . . . . 0.0 111.619 -172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.21 23.77 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 116.752 -1.594 . . . . 0.0 113.456 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.97 -38.84 31.37 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.414 1.916 . . . . 0.0 110.164 173.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -54.14 44.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.051 0.94 . . . . 0.0 108.609 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -17.48 64.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 118.134 -0.936 . . . . 0.0 113.401 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.72 62.22 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-O 117.803 -1.094 . . . . 0.0 113.419 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.14 -85.78 0.5 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.695 1.134 . . . . 0.0 108.364 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.99 8.25 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 112.295 -170.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -100.1 174.84 5.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.756 1.222 . . . . 0.0 108.366 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.8 p90 -158.32 153.31 21.39 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -74.04 156.25 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.8 1.667 . . . . 0.0 112.557 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.03 178.09 7.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.058 0.943 . . . . 0.0 110.264 162.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -135.69 154.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 125.29 1.436 . . . . 0.0 109.853 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 63' ' ' ILE . 43.0 mt -126.17 97.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 CA--C 1.54 0.778 0 CA-C-O 120.589 0.162 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -152.56 99.85 2.5 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.233 0.613 . . . . 0.0 110.671 -169.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.69 133.36 46.56 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.26 138.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -86.44 117.93 25.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.366 2.267 . . . . 0.0 108.831 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.53 168.38 19.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 111.648 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.3 133.28 38.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.286 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.79 -53.71 36.67 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.174 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.71 -26.35 65.23 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.544 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.1 ttmm -58.52 -76.21 0.04 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 162.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.456 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -57.26 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -63.89 0.97 Allowed 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 126.019 1.727 . . . . 0.0 108.641 168.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -56.61 -20.74 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 3.4 mmt -84.47 -67.96 0.76 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -175.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -57.15 -13.99 3.59 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.375 1.443 . . . . 0.0 113.778 176.47 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.97 -8.33 52.43 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.208 -2.33 . . . . 0.0 115.174 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER -115.98 11.27 15.36 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 122.643 2.474 . . . . 0.0 117.546 -174.092 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.93 -38.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 130.409 3.484 . . . . 0.0 115.062 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -52.56 -14.34 0.49 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 128.742 2.817 . . . . 0.0 112.176 163.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 51' ' ' GLN . 73.2 t80 -69.95 -51.63 31.11 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 120.77 -1.206 . . . . 0.0 111.836 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -78.5 -29.2 46.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.087 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 t -80.0 -41.58 25.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.431 1.092 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.42 114.28 21.57 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -168.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.01 143.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.279 2.232 . . . . 0.0 113.419 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 56' ' ' PHE . 10.0 mt -109.76 160.59 16.2 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.3 1.04 . . . . 0.0 109.057 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.3 13.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 30' ' ' ILE . 4.3 mm -89.98 106.46 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.12 1.368 . . . . 0.0 107.676 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.1 t -94.31 79.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -171.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.76 95.68 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.139 1.376 . . . . 0.0 108.361 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 55.76 26.55 9.62 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.07 0.948 . . . . 0.0 112.508 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 -7.35 30.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.75 1.167 . . . . 0.0 114.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -96.72 121.06 38.15 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 119.223 1.512 . . . . 0.0 108.218 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.67 109.17 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.531 1.132 . . . . 0.0 111.179 -164.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 128.87 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -169.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.4 mmtm -84.97 123.36 30.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.661 0.784 . . . . 0.0 110.944 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 70' ' ' ILE . 32.3 m -149.94 160.63 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 124.363 1.04 . . . . 0.0 113.771 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -137.22 136.41 38.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.876 1.27 . . . . 0.0 109.532 -178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 152.36 15.55 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.54 -43.94 0.83 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.105 1.362 . . . . 0.0 111.099 171.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -141.15 88.55 2.17 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -85.39 139.52 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 160.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -121.73 117.98 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 127.023 2.129 . . . . 0.0 106.406 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -86.3 164.76 16.92 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.719 0.807 . . . . 0.0 110.459 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 161.01 55.63 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 123.894 0.878 . . . . 0.0 110.508 169.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -84.17 -6.62 10.23 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.392 2.728 . . . . 0.0 113.627 -171.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -144.28 -57.16 0.37 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.598 1.09 . . . . 0.0 110.735 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -74.32 155.56 87.8 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.274 1.43 . . . . 0.0 109.85 170.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 19.34 0.77 Allowed 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.044 3.162 . . . . 0.0 113.602 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -77.05 -164.26 0.43 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.853 1.661 . . . . 0.0 110.6 -175.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.516 HD13 HD11 ' A' ' 89' ' ' ILE . 11.2 mt -126.81 160.14 31.77 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.592 1.157 . . . . 0.0 110.598 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -126.7 -28.44 2.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 111.615 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -170.55 157.77 6.01 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 77' ' ' VAL . 65.9 mt -145.36 146.08 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.691 1.196 . . . . 0.0 109.077 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.04 129.32 47.8 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.887 2.075 . . . . 0.0 106.484 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.06 149.25 41.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 170.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.49 153.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -61.88 91.48 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.327 1.451 . . . . 0.0 110.971 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.592 171.639 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m 57.49 101.27 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.445 2.298 . . . . 0.0 114.037 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.42 85.21 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -167.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.68 113.79 2.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.55 -161.96 0.85 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.387 1.475 . . . . 0.0 108.127 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.43 137.64 12.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.051 2.14 . . . . 0.0 105.415 170.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.87 143.95 15.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 121.798 -0.564 . . . . 0.0 111.051 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.48 150.21 35.16 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.262 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.5 mmpt? -127.19 2.59 6.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.248 1.819 . . . . 0.0 112.196 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.535 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 47.3 mt-10 -68.05 7.29 0.57 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.204 2.602 . . . . 0.0 115.588 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -29.84 17.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -162.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.75 43.98 0.01 OUTLIER Glycine 0 CA--C 1.545 1.928 0 C-N-CA 129.726 3.536 . . . . 0.0 117.942 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER 74.82 -19.46 0.38 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 130.674 3.59 . . . . 0.0 111.847 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.08 -68.31 1.75 Allowed Glycine 0 C--N 1.343 0.972 0 C-N-CA 126.357 1.932 . . . . 0.0 111.267 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . . . -56.3 -26.33 51.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.949 1.374 . . . . 0.0 112.332 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -69.92 -35.02 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.779 -0.575 . . . . 0.0 110.218 -171.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.48 -17.85 23.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.94 1.696 . . . . 0.0 112.076 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 mtt85 -78.47 -46.37 19.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.01 1.277 . . . . 0.0 109.984 174.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.25 -51.98 46.51 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.84 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -21.59 66.02 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.993 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -16.51 61.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.36 15.3 13.0 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.343 1.457 . . . . 0.0 112.597 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 66.62 7.93 5.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.953 0.901 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 41' ' ' GLU . 14.0 mtmm -84.6 179.14 7.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.106 1.362 . . . . 0.0 107.377 165.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.3 p90 -163.74 154.54 13.73 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -74.09 156.58 47.13 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.481 1.454 . . . . 0.0 111.809 -172.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.36 177.5 8.06 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.648 0.779 . . . . 0.0 110.01 162.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.3 tp -133.62 154.75 39.22 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 124.688 1.195 . . . . 0.0 109.384 172.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 63' ' ' ILE . 44.5 mt -123.73 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -168.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 29' ' ' ILE . 64.7 Cg_exo . . . . . 0 CA--C 1.534 0.525 0 N-CA-C 116.138 1.553 . . . . 0.0 116.138 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tp -154.22 106.45 2.79 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.641 1.177 . . . . 0.0 109.712 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.52 135.85 44.04 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.91 134.56 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 125.808 1.643 . . . . 0.0 107.889 -176.42 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CG ' ' HE2' ' A' ' 25' ' ' LYS . 25.4 tt0 -83.93 114.87 21.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.426 2.69 . . . . 0.0 109.102 173.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.49 166.65 20.87 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.601 0.761 . . . . 0.0 111.34 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 10.2 t70 -74.57 132.57 41.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.628 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -50.93 48.2 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.335 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -29.07 68.3 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.238 0.472 . . . . 0.0 111.198 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 21.8 ttmm -59.83 -75.31 0.06 Allowed 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 166.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.0 p -57.81 -26.63 28.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 tpp -50.61 -62.49 1.57 Allowed 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.822 0.849 . . . . 0.0 108.878 170.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.22 -22.48 41.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -81.25 -66.64 0.86 Allowed 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.11 -17.76 3.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.539 2.336 . . . . 0.0 112.832 173.586 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.11 -5.99 30.83 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 125.401 1.481 . . . . 0.0 112.474 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 157.24 34.92 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.334 1.425 . . . . 0.0 110.198 166.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -21.03 61.62 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.629 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.38 -23.59 50.11 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.54 1.536 . . . . 0.0 111.55 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 50.2 t80 -71.96 -52.97 14.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.321 -0.862 . . . . 0.0 111.994 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -76.27 -30.07 57.67 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 t -80.71 -40.53 25.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.27 1.028 . . . . 0.0 110.766 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.17 120.61 33.72 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -166.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -51.46 146.86 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.081 1.752 . . . . 0.0 114.416 -166.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.4 mt -109.86 158.22 18.4 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.008 1.723 . . . . 0.0 107.493 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -115.98 98.99 6.95 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.797 HG13 HD11 ' A' ' 30' ' ' ILE . 3.6 mm -76.55 110.89 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 121.384 -0.822 . . . . 0.0 108.951 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.73 81.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.85 96.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.232 0 C-N-CA 125.675 1.59 . . . . 0.0 108.364 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t70 55.19 27.84 10.21 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.932 0.893 . . . . 0.0 112.29 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.38 -2.3 37.22 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 118.476 -1.18 . . . . 0.0 114.697 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -100.72 124.75 46.79 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.498 1.649 . . . . 0.0 107.988 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.32 108.01 19.07 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.709 0.804 . . . . 0.0 110.832 -159.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.51 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.89 126.57 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -166.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.3 mmtm -83.57 124.62 30.95 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 122.932 0.493 . . . . 0.0 110.214 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -153.83 162.37 2.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 O-C-N 124.852 1.345 . . . . 0.0 111.733 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -148.03 142.74 26.65 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 122.055 -0.403 . . . . 0.0 110.247 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 128.75 37.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.787 -170.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -115.64 -18.49 10.86 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.166 0.916 . . . . 0.0 111.707 167.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -151.36 98.64 2.56 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.647 HG12 HG23 ' A' ' 89' ' ' ILE . 34.2 m -95.24 144.93 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 162.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.97 112.11 20.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 126.366 1.866 . . . . 0.0 106.382 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -81.83 164.59 21.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.97 1.308 . . . . 0.0 110.804 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.85 66.22 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.139 0.576 . . . . 0.0 110.677 162.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -83.88 -25.69 2.26 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.919 3.08 . . . . 0.0 113.218 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 10.68 0.86 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.048 0.939 . . . . 0.0 112.697 -176.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -123.45 157.56 61.47 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 125.144 1.377 . . . . 0.0 108.862 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.23 55.15 5.25 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.113 3.208 . . . . 0.0 109.739 167.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -126.46 -176.11 3.58 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.612 1.165 . . . . 0.0 109.312 -175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 89' ' ' ILE . 14.9 mt -127.94 159.88 33.58 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 125.763 1.625 . . . . 0.0 108.044 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.22 -25.26 4.9 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.426 1.49 . . . . 0.0 110.708 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -177.82 158.33 1.28 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 110.228 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 86' ' ' LEU . 87.3 mt -143.77 148.73 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 124.116 0.966 . . . . 0.0 108.772 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.43 117.42 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.406 2.282 . . . . 0.0 106.435 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.52 140.98 39.67 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.34 148.29 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-N 119.393 0.997 . . . . 0.0 108.943 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -59.85 91.94 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.474 1.91 . . . . 0.0 110.629 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.772 -1.585 . . . . 0.0 111.474 169.517 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 62' ' ' THR . 22.0 m 68.0 108.31 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.35 2.66 . . . . 0.0 112.317 170.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -105.49 83.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 -169.074 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.426 ' ND2' ' HE2' ' A' ' 46' ' ' LYS . 3.6 m-20 -59.84 117.97 5.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.082 0.553 . . . . 0.0 109.543 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.95 -161.19 0.94 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.724 1.61 . . . . 0.0 108.082 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.4 139.96 13.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.858 2.063 . . . . 0.0 106.143 167.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 40' ' ' ILE . 3.4 m -63.21 134.37 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 O-C-N 121.62 -0.675 . . . . 0.0 111.118 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -127.64 156.78 41.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.747 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.7 mmpt? -134.83 -2.88 2.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.264 1.426 . . . . 0.0 113.061 167.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.23 12.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.903 2.481 . . . . 0.0 115.127 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -34.59 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -172.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.97 -16.87 0.05 OUTLIER Glycine 0 CA--C 1.532 1.144 0 C-N-CA 128.12 2.771 . . . . 0.0 117.591 -174.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 160.89 -34.16 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 1 C-N-CA 132.402 4.281 . . . . 0.0 107.805 159.643 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.83 -33.32 49.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.14 1.829 . . . . 0.0 113.988 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -51.24 12.76 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.439 1.12 . . . . 0.0 110.385 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 m -58.37 -23.52 57.22 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.34 -0.85 . . . . 0.0 112.526 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -36.23 14.2 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 126.223 1.809 . . . . 0.0 112.688 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.86 -40.56 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 121.445 1.929 . . . . 0.0 110.399 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.62 -59.52 5.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.764 1.226 . . . . 0.0 109.944 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -64.46 -19.15 65.38 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.505 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -15.45 60.24 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.95 -92.84 0.22 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 167.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -165.74 9.92 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.769 2.427 . . . . 0.0 111.164 169.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -75.31 174.37 9.63 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.796 1.639 . . . . 0.0 108.471 174.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.6 p90 -159.35 151.74 17.62 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.75 158.91 49.61 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.144 1.229 . . . . 0.0 113.347 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.71 179.41 7.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.253 1.021 . . . . 0.0 110.631 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.46 160.81 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 124.546 1.138 . . . . 0.0 109.394 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.582 HD11 HG13 ' A' ' 63' ' ' ILE . 47.1 mt -131.14 95.26 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CD1' HG12 ' A' ' 92' ' ' VAL . 1.2 p90 . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -171.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo . . . . . 0 CA--C 1.543 0.926 0 N-CA-C 111.8 -0.115 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -152.44 102.31 2.73 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.651 0.78 . . . . 0.0 109.799 -171.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.32 133.83 43.98 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.534 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -140.61 127.44 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -174.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.48 122.8 26.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.378 2.671 . . . . 0.0 109.432 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.34 169.33 17.87 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.84 0.829 . . . . 0.0 113.122 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.28 131.69 39.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.757 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.09 -51.25 62.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.224 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.43 -40.71 78.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.294 0.497 . . . . 0.0 111.392 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HE2' ' ND2' ' A' ' 5' ' ' ASN . 1.0 OUTLIER -59.04 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.872 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.5 p -55.29 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 tpp -49.94 -63.37 1.13 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.033 1.333 . . . . 0.0 108.787 172.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.39 -19.58 48.2 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.2 mmt -83.71 -69.3 0.65 Allowed 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.543 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -51.66 -19.89 1.78 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.871 2.868 . . . . 0.0 113.896 176.033 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -57.61 -19.46 26.17 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.377 1.471 . . . . 0.0 113.028 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.75 45.44 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-O 121.402 0.62 . . . . 0.0 112.384 -171.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.22 75.12 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.065 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -5.64 36.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.882 1.673 . . . . 0.0 111.911 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 17.7 t80 -82.16 -53.63 5.92 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.725 167.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -69.36 -32.22 71.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 118.134 -1.426 . . . . 0.0 110.924 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -82.79 -34.58 26.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.682 1.193 . . . . 0.0 111.963 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.09 115.1 22.46 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.526 1.057 . . . . 0.0 108.17 -166.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.14 142.2 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 127.35 2.26 . . . . 0.0 113.346 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' A' ' 56' ' ' PHE . 10.2 mt -114.33 156.1 25.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.485 1.114 . . . . 0.0 108.9 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.7 m -110.25 99.63 8.64 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.582 HG13 HD11 ' A' ' 30' ' ' ILE . 4.6 mm -78.45 107.67 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 121.026 -1.046 . . . . 0.0 108.425 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.0 t -91.92 84.74 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 -177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 40' ' ' ILE . 7.4 m -76.71 97.84 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 -176.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.43 29.83 17.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.88 0.372 . . . . 0.0 111.787 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.93 -3.46 52.29 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.696 -1.058 . . . . 0.0 114.485 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -102.43 123.1 45.59 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.114 1.457 . . . . 0.0 109.258 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.24 110.58 23.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.953 0.901 . . . . 0.0 111.084 -162.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.5 131.9 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -172.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -88.23 129.31 35.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.65 1.18 . . . . 0.0 110.756 173.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 24.1 m -153.95 160.31 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.671 1.988 . . . . 0.0 111.091 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -131.89 132.78 43.93 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.854 0.862 . . . . 0.0 109.315 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.05 134.12 56.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.388 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -113.68 -31.56 6.43 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.946 0.779 . . . . 0.0 112.153 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -155.22 109.39 2.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.085 1.354 . . . . 0.0 107.489 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 89' ' ' ILE . 34.9 m -97.01 146.15 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 164.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -125.12 115.67 20.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -80.03 166.1 21.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.198 0.999 . . . . 0.0 111.439 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.7 161.14 47.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 122.994 0.518 . . . . 0.0 110.808 163.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.55 -26.27 3.29 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.403 2.736 . . . . 0.0 113.38 -173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -139.67 -6.68 1.3 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.195 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -114.74 155.72 45.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 124.769 1.227 . . . . 0.0 109.055 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 56.79 5.81 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.893 3.062 . . . . 0.0 110.154 171.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -124.81 -170.77 2.22 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 125.146 1.378 . . . . 0.0 109.949 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -129.04 144.29 51.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.163 1.785 . . . . 0.0 108.083 -175.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.92 -32.37 11.35 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.044 1.738 . . . . 0.0 110.241 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -176.46 157.94 1.74 Allowed 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.29 1.436 . . . . 0.0 109.091 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.71 HG23 HG12 ' A' ' 77' ' ' VAL . 80.1 mt -145.9 148.84 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -119.29 156.44 29.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 164.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.74 157.16 39.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 165.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 31' ' ' TYR . 3.2 m -119.39 143.61 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -56.3 95.86 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.464 1.906 . . . . 0.0 112.796 -164.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.254 1.327 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.711 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.077 0 CA-C-O 123.419 1.58 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -84.77 127.98 34.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 128.421 2.689 . . . . 0.0 108.015 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -124.56 81.35 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -168.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.25 116.17 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.306 1.042 . . . . 0.0 109.368 -170.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -122.48 -161.39 0.94 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.426 1.09 . . . . 0.0 108.533 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -154.46 140.63 18.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.4 139.43 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.913 0.387 . . . . 0.0 110.221 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -140.34 145.36 37.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.061 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -125.44 3.03 7.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.865 0.866 . . . . 0.0 112.826 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.17 15.1 1.24 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.377 1.871 . . . . 0.0 113.023 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.0 33.5 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.149 2.18 . . . . 0.0 115.863 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.56 22.64 0.03 OUTLIER Glycine 0 CA--C 1.543 1.835 0 C-N-CA 128.242 2.829 . . . . 0.0 118.628 -171.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 124.86 -30.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 136.993 6.117 . . . . 0.0 109.802 168.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.3 98.31 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.438 1.018 . . . . 0.0 113.145 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.48 54.83 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 117.815 0.807 . . . . 0.0 111.222 172.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -60.44 -27.25 67.36 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.613 -0.679 . . . . 0.0 111.434 -173.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -35.0 16.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.062 -1.447 . . . . 0.0 111.645 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -73.65 -39.66 64.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 121.092 1.769 . . . . 0.0 109.604 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -56.23 17.67 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.818 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.977 0.808 . . . . 0.0 111.665 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.28 -11.62 60.32 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.5 13.57 8.78 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.474 1.51 . . . . 0.0 112.852 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 64.68 10.98 6.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.521 0.728 . . . . 0.0 112.949 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -82.41 174.64 10.91 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 163.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' HZ ' HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -161.78 154.93 17.52 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.81 161.43 45.96 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.08 1.853 . . . . 0.0 113.915 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.46 7.14 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.936 160.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' HB2' ' A' ' 37' ' ' PRO . 9.3 tp -138.28 153.81 27.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.721 1.608 . . . . 0.0 110.424 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 63' ' ' ILE . 48.3 mt -131.71 110.14 16.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 126.574 1.95 . . . . 0.0 105.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.271 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HB2' HD11 ' A' ' 29' ' ' ILE . 24.8 Cg_endo . . . . . 0 CA--C 1.539 0.734 0 N-CA-C 113.502 0.539 . . . . 0.0 113.502 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.67 100.72 1.95 Allowed 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.323 1.049 . . . . 0.0 109.653 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -71.16 139.54 50.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.032 -0.418 . . . . 0.0 110.161 174.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.426 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -135.68 146.4 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 C-N-CA 125.3 1.44 . . . . 0.0 107.875 178.046 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.66 115.91 31.34 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 128.589 2.756 . . . . 0.0 108.779 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 4' ' ' ILE . 2.6 pt? -134.76 169.4 17.4 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.323 0.649 . . . . 0.0 111.835 -176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.25 132.23 39.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.768 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -52.0 46.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.687 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.52 -27.39 67.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.106 0.866 . . . . 0.0 112.194 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -61.2 -81.81 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.42 1.088 . . . . 0.0 108.829 164.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -48.62 -28.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -172.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 tpt -48.37 -66.47 0.4 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 125.726 1.61 . . . . 0.0 110.394 166.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.53 -20.55 5.09 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 172.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.421 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 4.2 mmt -87.2 -65.37 1.02 Allowed 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 117.778 -1.106 . . . . 0.0 108.197 -173.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.1 pp0? -60.74 -8.28 2.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 121.45 1.932 . . . . 0.0 113.656 173.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 1.83 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.096 1.358 . . . . 0.0 112.216 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 156.78 41.92 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.607 1.549 . . . . 0.0 109.498 160.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.56 62.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.907 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.42 -18.13 48.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.948 2.099 . . . . 0.0 112.2 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 52.4 t80 -75.76 -47.16 27.07 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 122.498 1.142 . . . . 0.0 111.788 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -70.31 -37.71 74.81 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.249 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -80.94 -51.64 8.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.745 1.618 . . . . 0.0 109.93 -174.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.65 123.98 49.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.77 146.5 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.331 1.452 . . . . 0.0 111.991 -165.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 29.1 mt -106.24 152.87 22.95 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 125.869 1.668 . . . . 0.0 108.414 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 m -111.99 100.65 9.05 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.709 0.686 . . . . 0.0 109.475 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.874 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -78.37 110.54 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 120.985 -1.072 . . . . 0.0 108.707 176.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.38 82.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 70' ' ' ILE . 10.8 m -74.06 96.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.771 1.628 . . . . 0.0 107.784 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 56.85 25.95 11.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.749 0.82 . . . . 0.0 112.448 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.23 34.07 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.767 1.175 . . . . 0.0 114.497 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -97.49 122.85 41.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.167 1.483 . . . . 0.0 108.18 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.34 109.58 22.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.768 0.827 . . . . 0.0 111.114 -162.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 125.16 70.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -169.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -83.81 122.54 28.82 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.317 0.647 . . . . 0.0 110.74 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 70' ' ' ILE . 24.9 m -152.2 161.32 3.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 O-C-N 124.464 1.103 . . . . 0.0 112.277 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -143.39 143.6 31.71 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.693 -0.63 . . . . 0.0 109.79 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -77.55 118.48 20.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.831 -163.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.86 -14.09 14.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.388 1.055 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -158.13 103.69 1.85 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.511 1.524 . . . . 0.0 108.102 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.818 HG12 HG23 ' A' ' 89' ' ' ILE . 17.4 m -98.41 137.35 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 161.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -107.4 109.28 20.97 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.975 1.71 . . . . 0.0 106.851 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -78.32 161.43 27.22 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.652 0.781 . . . . 0.0 109.94 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.29 159.96 77.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.143 0.577 . . . . 0.0 110.533 168.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.15 -27.25 1.57 Allowed 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 123.741 2.96 . . . . 0.0 113.263 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -144.42 7.3 1.32 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.252 1.421 . . . . 0.0 112.145 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -125.53 156.11 71.05 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.177 1.391 . . . . 0.0 109.03 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.52 63.17 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.818 3.012 . . . . 0.0 109.152 167.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -133.51 -176.28 4.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.698 1.199 . . . . 0.0 109.801 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 HD11 ' A' ' 89' ' ' ILE . 13.1 mt -124.49 156.72 36.8 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.135 1.774 . . . . 0.0 108.712 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -117.16 -32.56 4.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.686 1.594 . . . . 0.0 110.089 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -177.34 158.06 1.4 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.783 1.633 . . . . 0.0 109.899 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.818 HG23 HG12 ' A' ' 77' ' ' VAL . 86.9 mt -142.83 144.47 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.001 0.92 . . . . 0.0 108.606 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.22 134.04 55.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.276 2.23 . . . . 0.0 105.973 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -122.12 151.73 40.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 167.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.76 150.5 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 93.99 0.02 OUTLIER 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.862 1.665 . . . . 0.0 110.52 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 116.337 -1.792 . . . . 0.0 112.365 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.415 HG23 ' HB ' ' A' ' 62' ' ' THR . 3.7 m 65.43 120.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.116 2.566 . . . . 0.0 113.82 168.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.514 HD11 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -115.36 79.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 123.891 0.876 . . . . 0.0 109.29 -165.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.75 123.95 18.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -174.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -132.95 -166.2 1.72 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.045 1.338 . . . . 0.0 110.162 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -154.83 109.14 2.96 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.472 1.509 . . . . 0.0 109.775 -168.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.49 HG13 ' HB ' ' A' ' 65' ' ' VAL . 33.7 m -55.3 112.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.171 0.51 . . . . 0.0 110.489 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -127.07 139.14 53.21 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.197 -171.747 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 9.9 mmpt? -126.31 3.27 7.04 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.86 0.725 . . . . 0.0 112.919 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.74 16.61 0.37 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.876 2.07 . . . . 0.0 112.915 -174.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -69.05 0.15 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 126.129 1.772 . . . . 0.0 113.56 -158.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 10.04 -76.01 0.0 OUTLIER Glycine 0 C--N 1.342 0.912 1 C-N-CA 131.185 4.231 . . . . 0.0 115.541 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -155.69 -17.87 0.11 Allowed 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.519 -0.989 . . . . 0.0 110.125 159.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.86 -42.82 80.75 Favored Glycine 0 C--N 1.346 1.127 0 C-N-CA 126.317 1.913 . . . . 0.0 112.799 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -62.84 -50.29 71.54 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.054 1.427 . . . . 0.0 110.222 173.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -62.61 -16.48 56.8 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.454 0.702 . . . . 0.0 112.584 -170.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -28.53 12.91 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.146 -1.407 . . . . 0.0 113.689 177.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -71.62 -37.18 70.93 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.038 1.744 . . . . 0.0 109.567 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -66.23 -58.13 6.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.544 1.138 . . . . 0.0 109.682 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -58.92 -28.71 66.47 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 118.594 0.634 . . . . 0.0 111.98 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.89 -23.04 63.19 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.7 16.45 17.46 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.824 1.249 . . . . 0.0 111.984 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.95 11.89 7.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.533 0.733 . . . . 0.0 112.824 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.4 mtmm -85.26 175.06 9.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 167.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -160.44 152.06 16.41 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.82 159.3 48.64 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.464 1.443 . . . . 0.0 113.159 -169.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 177.44 8.85 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.34 1.056 . . . . 0.0 110.568 164.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.8 tp -134.85 156.14 39.42 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 C-N-CA 124.756 1.223 . . . . 0.0 109.397 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 63' ' ' ILE . 68.1 mt -125.3 80.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 104.442 -2.429 . . . . 0.0 104.442 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 N--CA 1.453 -0.291 0 O-C-N 123.302 0.376 . . . . 0.0 110.423 176.135 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HB2' HD11 ' A' ' 29' ' ' ILE . 23.4 Cg_exo . . . . . 0 N--CA 1.451 -1.012 0 N-CA-C 117.228 1.972 . . . . 0.0 117.228 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.05 103.65 3.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -69.34 138.29 53.61 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.532 HD11 HG13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -142.77 141.04 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.402 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 3.1 tt0 -104.1 111.19 23.67 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.07 1.748 . . . . 0.0 107.578 -168.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -129.19 166.1 20.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.605 0.762 . . . . 0.0 112.511 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.69 132.73 45.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.957 0.903 . . . . 0.0 109.491 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -70.62 -50.71 34.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.923 -0.561 . . . . 0.0 109.935 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.09 -28.41 68.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.5 0.591 . . . . 0.0 111.335 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.6 ttmm -59.94 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.347 0.466 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 163.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.1 p -54.18 -26.97 16.03 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -167.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -63.24 1.16 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.147 1.779 . . . . 0.0 109.653 169.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -56.64 -21.87 30.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.704 1.138 . . . . 0.0 113.867 173.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.1 mmm -85.18 -65.88 0.96 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.458 -171.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.17 -8.49 3.61 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 121.104 1.774 . . . . 0.0 113.885 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -1.04 17.73 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.792 1.637 . . . . 0.0 112.256 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 157.5 37.16 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.574 1.533 . . . . 0.0 109.94 159.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.68 60.1 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -57.25 -20.28 26.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.437 1.895 . . . . 0.0 111.273 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 76.1 t80 -68.33 -56.09 9.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.907 -1.121 . . . . 0.0 111.697 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -77.36 -28.24 52.88 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.607 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -76.54 -50.23 14.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.844 1.258 . . . . 0.0 110.211 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.78 103.43 12.51 Favored 'General case' 0 C--N 1.344 0.336 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -161.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 71' ' ' LYS . 7.7 p -40.53 124.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 128.074 2.55 . . . . 0.0 113.323 -170.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 4' ' ' ILE . 63.6 mt -88.8 151.75 22.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.797 1.239 . . . . 0.0 107.712 -171.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.415 ' HB ' HG23 ' A' ' 3' ' ' THR . 4.4 m -109.76 99.33 8.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.1 108.86 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.01 82.8 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' HB ' HG13 ' A' ' 8' ' ' VAL . 3.2 m -75.87 97.75 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 C-N-CA 126.423 1.889 . . . . 0.0 106.234 -174.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.21 23.88 9.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.523 0.729 . . . . 0.0 112.265 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.94 -10.35 29.56 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.771 -1.016 . . . . 0.0 114.673 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -97.93 128.94 44.83 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.047 1.423 . . . . 0.0 109.108 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -97.59 110.81 23.3 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.503 0.721 . . . . 0.0 111.518 -163.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.49 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -115.7 128.97 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -170.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HD2' HG22 ' A' ' 60' ' ' VAL . 4.6 mmtm -88.75 126.04 35.15 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.19 0.996 . . . . 0.0 110.775 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG13 HG22 ' A' ' 70' ' ' ILE . 26.3 m -152.49 161.11 2.95 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 C-N-CA 125.786 1.635 . . . . 0.0 111.088 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -133.26 134.06 43.45 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.625 0.77 . . . . 0.0 109.525 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 139.86 57.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.349 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -118.17 -43.24 2.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.966 0.906 . . . . 0.0 110.448 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -146.75 105.74 3.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.636 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -89.96 143.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 161.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.06 114.49 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 -79.08 162.17 26.04 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.213 0.53 . . . . 0.0 110.092 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 160.62 70.55 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 123.79 0.836 . . . . 0.0 110.58 170.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.28 -7.7 9.91 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.291 2.661 . . . . 0.0 113.333 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -143.48 -57.46 0.4 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.617 1.099 . . . . 0.0 111.039 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 14.7 ptmt -78.63 158.0 76.41 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.228 1.811 . . . . 0.0 109.766 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.54 16.18 1.11 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.694 2.93 . . . . 0.0 114.347 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.86 -169.76 0.5 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.381 1.472 . . . . 0.0 111.566 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 89' ' ' ILE . 10.9 mt -121.57 155.25 35.43 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 126.875 2.07 . . . . 0.0 108.776 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.0 -37.3 7.01 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.931 1.692 . . . . 0.0 110.155 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -178.5 157.74 1.02 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.872 1.669 . . . . 0.0 108.934 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 77' ' ' VAL . 81.9 mt -144.48 148.22 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -122.38 154.21 38.0 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.599 0.76 . . . . 0.0 109.128 168.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.99 148.02 50.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.26 144.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.53 99.66 0.04 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.425 1.49 . . . . 0.0 110.089 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.271 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m 67.46 103.77 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.168 2.987 . . . . 0.0 112.073 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.72 82.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -166.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.04 115.32 3.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -121.64 -161.87 0.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.926 1.69 . . . . 0.0 108.095 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.1 139.72 12.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.777 2.031 . . . . 0.0 106.217 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.12 141.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 123.394 0.678 . . . . 0.0 111.976 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.89 149.57 35.55 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 175.271 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.6 mmpt? -131.21 -5.72 3.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.264 1.825 . . . . 0.0 113.52 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.7 pm0 -69.92 15.54 0.08 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.271 2.628 . . . . 0.0 114.943 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -32.97 17.72 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 -169.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.74 -3.92 0.02 OUTLIER Glycine 0 CA--C 1.546 1.992 0 C-N-CA 128.396 2.903 . . . . 0.0 118.648 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 136.41 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.809 5.244 . . . . 0.0 110.451 166.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.51 -46.4 92.04 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.285 0.948 . . . . 0.0 112.571 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -64.48 -43.55 93.82 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 121.989 0.9 . . . . 0.0 109.889 172.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -27.37 67.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.727 0.811 . . . . 0.0 111.308 -167.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -43.45 12.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 116.498 -1.715 . . . . 0.0 111.419 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.24 -35.6 79.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.563 1.983 . . . . 0.0 111.577 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -59.06 3.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.034 -175.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -65.11 -18.56 65.4 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.074 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.31 60.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 171.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.31 19.21 11.43 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.526 1.53 . . . . 0.0 112.118 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.84 6.21 4.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.143 0.977 . . . . 0.0 113.44 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -84.47 176.87 8.37 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.535 1.134 . . . . 0.0 108.577 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.8 p90 -159.66 152.43 17.96 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.2 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.888 1.725 . . . . 0.0 112.07 -173.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.55 179.94 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 110.676 163.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -139.0 156.8 28.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 124.64 1.176 . . . . 0.0 109.928 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.803 HD11 HG13 ' A' ' 63' ' ' ILE . 49.1 mt -126.22 88.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.613 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.0 Cg_exo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 115.153 1.174 . . . . 0.0 115.153 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -146.8 101.63 3.46 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.613 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.56 135.36 45.57 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.437 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.42 132.58 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.894 1.677 . . . . 0.0 107.626 -174.294 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.62 118.84 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 127.993 2.517 . . . . 0.0 108.614 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.99 166.33 23.91 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.793 0.806 . . . . 0.0 110.881 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 131.99 39.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.374 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.86 -49.52 74.55 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 123.595 0.758 . . . . 0.0 109.67 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.56 -36.49 82.84 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.53 0.604 . . . . 0.0 111.845 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -74.28 0.07 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 170.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.7 p -58.87 -26.4 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -169.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -61.07 2.38 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.524 1.53 . . . . 0.0 108.109 171.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -57.42 -23.84 51.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.687 1.131 . . . . 0.0 113.972 173.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.7 mmt -81.01 -68.79 0.66 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 119.073 0.851 . . . . 0.0 109.758 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.82 -7.03 3.12 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.758 1.163 . . . . 0.0 113.583 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 -3.96 23.55 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 125.035 1.334 . . . . 0.0 112.613 172.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 159.21 33.78 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.38 1.446 . . . . 0.0 110.831 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.95 60.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.11 -20.89 28.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.281 1.432 . . . . 0.0 111.783 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 75.4 t80 -71.51 -51.87 21.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.191 -0.943 . . . . 0.0 112.179 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -81.7 -29.05 33.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.674 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 t -85.22 -22.89 28.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.707 1.203 . . . . 0.0 111.847 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 127.61 34.62 Favored 'General case' 0 C--N 1.343 0.309 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -175.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.04 145.47 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 126.001 1.72 . . . . 0.0 112.931 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 56' ' ' PHE . 19.7 mt -113.02 157.09 21.97 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 107.831 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 m -110.27 99.56 8.59 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 30' ' ' ILE . 4.9 mm -74.77 111.35 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 O-C-N 120.864 -1.148 . . . . 0.0 108.562 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.4 84.65 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 18.6 m -75.5 99.94 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.271 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 55.78 30.29 15.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 118.267 0.485 . . . . 0.0 111.803 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.0 -1.12 57.66 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.71 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 6.1 mtmt -102.35 124.99 48.9 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.226 1.513 . . . . 0.0 108.03 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.84 107.38 18.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.276 0.63 . . . . 0.0 111.198 -158.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.32 130.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -169.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 13.2 mmtm -84.54 127.92 34.31 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.734 0.814 . . . . 0.0 111.191 173.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 70' ' ' ILE . 31.3 m -154.21 164.49 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 125.144 1.378 . . . . 0.0 112.7 174.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.56 137.72 21.76 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.18 154.65 19.17 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -165.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -129.99 -34.58 1.68 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 165.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.44 93.4 2.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.676 HG12 HG23 ' A' ' 89' ' ' ILE . 32.7 m -84.71 140.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 158.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -119.03 110.77 17.49 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.014 2.126 . . . . 0.0 105.805 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -77.31 165.25 24.71 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.359 0.664 . . . . 0.0 109.589 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 156.32 39.25 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 164.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -80.99 -16.13 10.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.453 2.768 . . . . 0.0 112.964 -169.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -148.59 5.35 0.7 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 112.227 -177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -133.86 158.76 74.68 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.408 1.483 . . . . 0.0 108.748 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.08 16.09 0.7 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.798 2.999 . . . . 0.0 113.498 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -83.83 -170.78 3.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.544 1.538 . . . . 0.0 110.709 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 89' ' ' ILE . 22.0 mt -119.01 163.69 16.58 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.532 1.933 . . . . 0.0 109.874 173.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.07 -35.2 2.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 127.678 2.391 . . . . 0.0 110.603 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.63 157.42 4.7 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 124.847 1.259 . . . . 0.0 109.884 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.676 HG23 HG12 ' A' ' 77' ' ' VAL . 87.9 mt -145.54 148.96 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -125.34 160.88 28.26 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.397 0.679 . . . . 0.0 109.783 165.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.38 142.56 43.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.27 148.58 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.609 1.095 . . . . 0.0 108.608 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -57.54 94.44 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.858 2.063 . . . . 0.0 109.847 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.867 176.727 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.423 HG23 ' HB ' ' A' ' 62' ' ' THR . 2.6 m 60.55 96.68 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.263 2.225 . . . . 0.0 114.329 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -99.15 85.25 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -171.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -60.72 117.23 5.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.32 -161.69 0.95 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.606 1.563 . . . . 0.0 108.008 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -158.58 143.02 15.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.677 1.991 . . . . 0.0 106.243 165.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.6 m -64.97 131.95 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 123.285 0.634 . . . . 0.0 110.898 -175.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.457 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -128.55 143.09 50.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.723 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? -133.72 -0.21 3.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.826 1.25 . . . . 0.0 113.88 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.95 12.49 0.4 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.473 2.309 . . . . 0.0 114.999 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -26.25 24.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -34.83 -27.67 0.01 OUTLIER Glycine 0 CA--C 1.542 1.722 0 C-N-CA 127.343 2.401 . . . . 0.0 116.121 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? 168.36 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 1 C-N-CA 131.706 4.003 . . . . 0.0 109.17 158.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.93 41.34 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.709 1.623 . . . . 0.0 113.494 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.49 70.33 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.01 0.905 . . . . 0.0 110.658 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.6 m -65.3 -16.13 63.25 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.507 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.78 -19.35 16.76 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 117.026 -1.464 . . . . 0.0 113.733 175.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -77.61 -34.39 53.4 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.874 1.67 . . . . 0.0 110.283 164.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.12 -57.96 5.8 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -31.09 67.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.972 172.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.72 61.72 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.94 17.57 7.28 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.682 1.193 . . . . 0.0 112.806 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.65 12.94 7.96 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.285 0.634 . . . . 0.0 112.529 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.78 173.62 7.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.659 1.583 . . . . 0.0 108.536 170.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.4 p90 -152.47 155.76 33.03 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 172.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -70.95 158.58 55.02 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.26 1.973 . . . . 0.0 113.089 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.91 8.01 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.258 1.023 . . . . 0.0 110.473 162.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -136.27 159.61 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 124.963 1.305 . . . . 0.0 109.805 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG13 ' A' ' 63' ' ' ILE . 63.1 mt -129.46 91.35 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 176.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 112.139 -175.21 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.537 0.656 0 N-CA-C 112.283 0.071 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.43 105.87 2.3 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 122.722 0.409 . . . . 0.0 110.213 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -81.2 136.98 35.9 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -142.51 122.63 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.37 1.468 . . . . 0.0 109.101 -168.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.38 120.09 19.47 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 131.011 3.724 . . . . 0.0 108.685 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.18 166.34 24.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.822 0.82 . . . . 0.0 112.383 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 132.0 40.98 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.232 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -66.18 -47.64 73.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.099 0.874 . . . . 0.0 109.5 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.87 -34.54 78.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.073 0.851 . . . . 0.0 111.675 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.69 -77.46 0.03 OUTLIER 'General case' 0 C--N 1.345 0.381 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.623 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.95 -26.09 23.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -167.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -48.4 -64.21 0.86 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.796 1.638 . . . . 0.0 108.694 170.402 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.79 -22.16 45.82 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.481 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.6 mmt -82.74 -70.96 0.51 Allowed 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -175.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.586 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -61.26 -7.46 2.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -62.26 -16.85 56.3 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.14 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 155.13 48.93 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.256 0.935 . . . . 0.0 112.976 -173.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.6 74.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.512 -167.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.8 -48.03 80.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 124.336 1.054 . . . . 0.0 108.178 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 2.9 t80 -50.81 -45.55 59.4 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.857 1.208 . . . . 0.0 111.325 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -36.14 73.76 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.797 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -86.28 -12.69 48.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.849 1.259 . . . . 0.0 112.633 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -131.54 122.96 27.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -165.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -46.67 142.18 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.307 1.043 . . . . 0.0 112.651 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.4 mt -116.94 161.36 19.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.415 1.486 . . . . 0.0 107.919 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.9 m -115.66 97.47 6.15 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.975 0.807 . . . . 0.0 109.197 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.581 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -76.06 105.09 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.14 84.62 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 40' ' ' ILE . 4.4 m -76.72 97.41 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 126.243 1.817 . . . . 0.0 106.938 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 57.41 25.98 11.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.336 0.654 . . . . 0.0 112.419 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.0 -3.76 35.7 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.857 1.218 . . . . 0.0 114.559 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -103.37 126.11 50.35 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 119.234 1.517 . . . . 0.0 108.501 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.23 109.05 21.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.076 0.55 . . . . 0.0 110.87 -159.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.94 128.06 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -171.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.6 mmtm -86.16 129.6 34.79 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.191 0.996 . . . . 0.0 111.016 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.535 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 19.1 m -153.06 160.94 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.582 1.953 . . . . 0.0 110.765 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.19 134.33 47.96 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 119.022 0.828 . . . . 0.0 109.129 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -58.62 132.86 55.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.388 0.675 . . . . 0.0 111.139 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -128.98 -24.13 2.96 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.101 0.876 . . . . 0.0 111.387 -170.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -161.16 103.15 1.27 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.799 HG12 HG23 ' A' ' 89' ' ' ILE . 18.4 m -91.83 133.8 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 163.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -107.5 102.85 12.08 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -68.39 162.3 25.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.095 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 158.68 85.76 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 122.664 0.385 . . . . 0.0 110.978 170.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.68 -24.57 4.14 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.569 2.846 . . . . 0.0 112.997 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -148.64 12.07 0.89 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -126.43 157.02 71.91 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 108.78 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -78.73 61.96 8.19 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.719 2.946 . . . . 0.0 109.123 166.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -133.78 -173.04 3.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.761 1.224 . . . . 0.0 109.255 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 89' ' ' ILE . 22.2 mt -131.0 127.5 38.47 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 125.727 1.611 . . . . 0.0 108.638 -174.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -74.03 -41.12 62.3 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.79 1.236 . . . . 0.0 110.006 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 177.41 159.7 0.42 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 125.851 1.66 . . . . 0.0 108.465 -165.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.799 HG23 HG12 ' A' ' 77' ' ' VAL . 89.4 mt -145.46 145.02 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.44 148.75 44.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 167.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.42 158.44 27.19 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.31 142.74 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 117.989 0.359 . . . . 0.0 110.087 175.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -52.63 93.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.248 0 C-N-CA 127.027 2.131 . . . . 0.0 111.153 -167.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 116.519 -1.705 . . . . 0.0 111.625 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 62' ' ' THR . 24.1 m 59.63 97.48 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.501 2.721 . . . . 0.0 112.912 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -101.6 89.12 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -165.607 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.25 116.38 5.95 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -172.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.86 -161.18 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.458 1.503 . . . . 0.0 108.003 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.78 144.19 22.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 164.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.02 144.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.677 . . . . 0.0 110.401 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -139.81 156.1 46.92 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.289 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -137.84 -4.81 1.75 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 113.191 167.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.3 pm0 -66.96 15.74 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.564 2.745 . . . . 0.0 114.996 175.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -44.28 22.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.371 -173.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -19.99 -64.37 0.01 OUTLIER Glycine 0 C--N 1.343 0.946 0 C-N-CA 128.163 2.792 . . . . 0.0 112.844 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -159.74 -17.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.401 158.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.19 -43.97 97.89 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 124.818 1.199 . . . . 0.0 112.492 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -67.13 -44.45 79.81 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 173.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -62.73 -27.36 69.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.993 0.517 . . . . 0.0 111.927 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 -39.18 15.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 116.294 -1.812 . . . . 0.0 111.387 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -64.28 -33.94 76.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.635 2.016 . . . . 0.0 110.713 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.41 -65.98 0.61 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.605 1.162 . . . . 0.0 108.121 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -61.11 -26.91 68.0 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.877 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.86 -21.21 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.46 18.71 12.81 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.936 1.295 . . . . 0.0 112.031 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 65.0 11.55 7.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.549 0.739 . . . . 0.0 112.918 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mtmm -84.29 172.75 11.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 166.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 89' ' ' ILE . 1.3 p90 -152.5 154.82 32.3 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -70.14 154.89 65.83 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.054 1.836 . . . . 0.0 113.342 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.75 -179.04 5.96 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.922 0.889 . . . . 0.0 110.743 162.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tp -138.25 157.16 31.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 124.746 1.218 . . . . 0.0 110.159 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 63' ' ' ILE . 45.2 mt -127.77 100.08 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -162.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 CA--C 1.542 0.912 0 CA-C-O 120.642 0.184 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.49 102.05 2.22 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.315 1.046 . . . . 0.0 110.06 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 139.41 47.07 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -136.52 140.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -177.515 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 6.2 tt0 -93.55 108.39 20.1 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 129.648 3.179 . . . . 0.0 107.293 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -130.48 164.73 24.18 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.586 0.707 . . . . 0.0 111.878 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.62 136.23 40.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.598 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.59 -50.76 23.21 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.485 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -22.91 61.36 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.718 0.69 . . . . 0.0 111.577 -170.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.78 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.09 1.756 . . . . 0.0 107.82 159.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -56.79 -26.57 24.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 tpt -50.13 -62.5 1.54 Allowed 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.132 1.773 . . . . 0.0 108.885 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -57.12 -21.24 30.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.353 0.979 . . . . 0.0 113.592 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -82.99 -68.72 0.68 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 118.468 -0.777 . . . . 0.0 108.907 -174.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.518 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -61.76 -6.96 2.98 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.517 1.053 . . . . 0.0 113.759 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.85 -3.55 22.95 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 125.477 1.511 . . . . 0.0 112.54 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.53 34.05 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.379 1.445 . . . . 0.0 110.166 163.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.23 60.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -57.03 -21.87 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.652 1.581 . . . . 0.0 111.636 171.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 54.8 t80 -69.53 -51.5 35.05 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 121.21 -0.931 . . . . 0.0 112.248 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.19 -30.15 31.06 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.685 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -83.49 -21.88 32.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.602 1.161 . . . . 0.0 111.754 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.44 127.66 33.82 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -174.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.9 p -52.35 145.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.426 1.491 . . . . 0.0 112.243 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 9.2 mt -113.26 164.11 13.96 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.955 1.702 . . . . 0.0 107.919 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.452 ' HB ' HG23 ' A' ' 3' ' ' THR . 3.8 m -118.34 98.22 6.17 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.179 0.445 . . . . 0.0 110.822 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 30' ' ' ILE . 3.7 mm -74.17 105.98 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.765 HG22 ' HG2' ' A' ' 69' ' ' GLU . 39.4 t -84.17 82.05 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG22 HD13 ' A' ' 70' ' ' ILE . 13.8 m -73.06 98.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 125.149 1.38 . . . . 0.0 108.359 177.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.01 26.37 9.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.142 0.977 . . . . 0.0 112.52 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.31 -5.35 30.04 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.987 1.28 . . . . 0.0 114.538 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.07 117.06 33.74 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 119.366 1.583 . . . . 0.0 108.386 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 64' ' ' VAL . 28.8 mt-10 -82.5 117.86 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.839 1.256 . . . . 0.0 113.025 -174.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -118.35 128.85 75.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.7 mmtm -86.65 124.4 32.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 123.223 0.609 . . . . 0.0 110.604 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 28.2 m -153.76 162.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 C-N-CA 125.008 1.323 . . . . 0.0 112.454 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 139.54 23.24 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.568 0.747 . . . . 0.0 109.098 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.61 155.61 7.25 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -166.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -131.94 -43.81 0.97 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.761 0.824 . . . . 0.0 111.776 167.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.12 88.94 1.83 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 -173.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 89' ' ' ILE . 20.8 m -82.9 135.39 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 158.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.23 114.51 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 -177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -78.31 159.8 28.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.103 0.561 . . . . 0.0 109.58 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.17 160.5 64.01 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 123.339 0.656 . . . . 0.0 110.653 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.01 -18.49 11.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.836 2.357 . . . . 0.0 113.321 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -144.92 -39.68 0.26 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 119.098 0.863 . . . . 0.0 112.22 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -75.48 156.42 85.2 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.236 1.014 . . . . 0.0 109.936 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -80.11 66.15 8.83 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.717 2.944 . . . . 0.0 109.872 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -137.27 -169.29 2.47 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.052 1.341 . . . . 0.0 109.97 -174.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 9.0 mt -129.76 142.51 50.68 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.528 1.931 . . . . 0.0 108.206 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.53 -34.0 12.84 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.37 1.068 . . . . 0.0 110.841 172.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -175.2 157.03 2.18 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.971 1.309 . . . . 0.0 109.45 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 92.1 mt -144.43 148.79 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -124.47 160.31 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.714 164.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.44 145.91 52.01 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -94.27 147.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 174.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -57.26 96.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.828 2.051 . . . . 0.0 110.311 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.341 168.472 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.746 -0.168 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m 57.82 103.54 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.737 2.415 . . . . 0.0 114.209 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.454 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.22 85.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 123.91 0.884 . . . . 0.0 109.126 -170.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.503 HD22 ' HB ' ' A' ' 64' ' ' VAL . 3.1 m120 -59.64 120.23 9.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.738 0.815 . . . . 0.0 109.522 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.15 -161.66 1.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.058 1.343 . . . . 0.0 108.597 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -155.23 143.72 20.42 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.816 2.046 . . . . 0.0 105.699 165.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -64.59 142.42 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.875 -0.516 . . . . 0.0 110.75 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.46 155.39 50.07 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.927 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -134.91 -1.97 2.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.351 1.46 . . . . 0.0 112.904 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.72 14.13 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.478 2.311 . . . . 0.0 114.49 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -39.47 19.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -166.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.8 3.84 0.01 OUTLIER Glycine 0 CA--C 1.54 1.606 0 C-N-CA 128.723 3.059 . . . . 0.0 119.696 -166.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 139.71 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.559 1 C-N-CA 136.445 5.898 . . . . 0.0 108.405 172.27 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.98 -53.09 10.87 Favored Glycine 0 C--N 1.344 0.991 0 C-N-CA 125.831 1.682 . . . . 0.0 112.392 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.69 -52.33 52.33 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.43 1.092 . . . . 0.0 111.066 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -59.3 -21.89 60.38 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.122 0.569 . . . . 0.0 112.257 -166.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -34.07 13.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.519 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.95 -35.28 79.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 122.205 2.275 . . . . 0.0 110.431 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -56.59 16.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.101 0.961 . . . . 0.0 108.588 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -56.78 -28.07 60.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 113.033 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 -12.13 59.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.56 -86.97 0.4 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 165.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.83 9.46 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.391 1.877 . . . . 0.0 111.715 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -91.68 176.07 6.67 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.867 1.667 . . . . 0.0 108.666 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.1 p90 -159.64 153.34 19.2 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 174.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.55 158.83 36.01 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.228 1.285 . . . . 0.0 112.703 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.61 177.98 7.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.387 1.075 . . . . 0.0 110.071 165.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 37' ' ' PRO . 11.1 tp -132.87 148.45 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.163 1.385 . . . . 0.0 109.948 171.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.929 HD11 HG13 ' A' ' 63' ' ' ILE . 38.6 mt -116.74 80.21 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 175.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.888 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.03 -172.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB2' HD11 ' A' ' 29' ' ' ILE . 87.7 Cg_exo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 117.82 2.2 . . . . 0.0 117.82 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.52 104.83 2.4 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.856 1.662 . . . . 0.0 108.959 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.48 139.13 45.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.77 141.14 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 125.576 1.55 . . . . 0.0 107.449 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -92.2 115.59 28.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.241 2.616 . . . . 0.0 108.862 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.44 167.46 20.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.411 0.624 . . . . 0.0 112.296 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 130.73 38.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.378 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -64.46 -51.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.946 0.779 . . . . 0.0 110.476 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.21 -34.96 75.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.149 0.431 . . . . 0.0 111.582 -172.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -62.42 -75.28 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.5 p -55.86 -26.24 20.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 tpp -51.43 -63.02 1.27 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.11 1.364 . . . . 0.0 109.557 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.51 -16.75 40.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.3 -67.51 0.78 Allowed 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.61 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.0 -8.51 3.27 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.633 1.106 . . . . 0.0 113.661 176.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.34 -7.99 22.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-O 117.18 -1.391 . . . . 0.0 111.077 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 158.69 38.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 110.837 170.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.56 61.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.32 -19.55 35.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.525 1.93 . . . . 0.0 111.57 173.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 57.1 t80 -70.89 -51.73 24.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 120.989 -1.069 . . . . 0.0 111.882 176.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -80.24 -29.34 38.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.319 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -78.18 -37.43 45.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 110.814 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.6 126.88 47.42 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -168.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.559 1.544 . . . . 0.0 113.447 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.2 mt -114.91 155.53 26.7 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.45 1.5 . . . . 0.0 108.527 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -112.69 97.45 6.58 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.141 0.882 . . . . 0.0 109.997 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.929 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -74.18 111.5 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 120.939 -1.101 . . . . 0.0 108.918 177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' HD22 ' A' ' 5' ' ' ASN . 41.3 t -93.26 84.84 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 70' ' ' ILE . 17.2 m -76.09 97.64 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.627 1.571 . . . . 0.0 107.492 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.99 29.15 15.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.069 0.548 . . . . 0.0 111.968 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.96 -4.13 45.39 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.468 -1.185 . . . . 0.0 114.271 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 125.23 48.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 119.321 1.56 . . . . 0.0 109.26 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.6 109.28 21.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.193 0.997 . . . . 0.0 110.96 -161.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.533 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.95 126.85 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -85.97 124.52 32.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.053 0.541 . . . . 0.0 109.901 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 70' ' ' ILE . 32.9 m -150.33 159.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 O-C-N 124.323 1.014 . . . . 0.0 113.201 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -131.47 132.31 44.17 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.668 0.787 . . . . 0.0 109.616 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -67.49 133.14 48.95 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 124.193 0.933 . . . . 0.0 110.835 -176.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -132.02 -18.61 2.63 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.132 0.973 . . . . 0.0 112.424 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.62 94.39 1.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 HG23 ' A' ' 89' ' ' ILE . 34.6 m -88.64 135.71 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 161.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.44 172.89 8.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.052 1.741 . . . . 0.0 107.548 170.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 164.97 31.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.073 0.949 . . . . 0.0 109.773 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.7 164.28 32.44 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.108 159.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -87.78 -16.07 3.07 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.628 2.885 . . . . 0.0 113.657 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -134.61 -6.77 2.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.971 1.309 . . . . 0.0 112.648 -170.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -144.99 166.75 16.79 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 128.431 2.692 . . . . 0.0 106.03 166.643 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.26 10.72 2.61 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 CA-C-N 120.923 1.365 . . . . 0.0 112.825 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -53.53 99.57 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 C-N-CA 127.544 2.337 . . . . 0.0 112.085 -168.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.752 HD13 HD11 ' A' ' 89' ' ' ILE . 14.7 mt -62.73 108.96 1.27 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 127.071 2.148 . . . . 0.0 108.281 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -75.66 -24.99 56.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.741 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -174.66 157.47 2.55 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.169 0.988 . . . . 0.0 110.888 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.752 HD11 HD13 ' A' ' 86' ' ' LEU . 81.4 mt -146.46 150.29 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.35 1.46 . . . . 0.0 108.107 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 m-20 -131.04 126.56 36.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.897 1.679 . . . . 0.0 107.539 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.55 132.06 53.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.389 1.076 . . . . 0.0 108.82 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.58 157.21 3.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.989 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -67.96 90.14 0.3 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.951 0.901 . . . . 0.0 109.812 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.63 -0.7 . . . . 0.0 112.187 173.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 N--CA 1.465 0.285 0 CA-C-O 119.666 -0.207 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 63.26 98.5 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.235 2.214 . . . . 0.0 114.154 168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.56 84.16 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -167.086 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -58.11 109.27 0.72 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.54 -161.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 107.41 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.54 138.27 11.96 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.0 m -62.45 132.62 28.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.614 -0.679 . . . . 0.0 110.607 -177.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.401 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -131.72 150.1 52.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.043 179.366 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.7 mmpt? -137.09 -3.54 1.98 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.372 1.869 . . . . 0.0 113.186 173.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.45 14.07 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.723 2.409 . . . . 0.0 115.039 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -53.55 8.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.898 1.279 . . . . 0.0 114.099 -164.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -5.21 -71.41 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 C-N-CA 130.146 3.736 . . . . 0.0 114.38 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -163.87 -11.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.019 0.928 . . . . 0.0 110.517 158.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -29.99 75.71 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 125.025 1.297 . . . . 0.0 113.061 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.24 -45.83 53.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.68 -0.894 . . . . 0.0 110.746 167.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -60.28 -22.28 62.93 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.52 -40.08 14.6 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 127.523 2.329 . . . . 0.0 112.09 173.306 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -34.79 76.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 122.015 2.189 . . . . 0.0 111.047 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -54.31 10.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.27 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.25 -28.56 66.82 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.804 0.729 . . . . 0.0 112.302 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.95 -15.4 61.12 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.01 17.22 10.88 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.94 1.296 . . . . 0.0 112.326 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 64.43 13.35 8.05 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.7 mtmm -91.95 175.83 6.73 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.806 1.642 . . . . 0.0 107.463 171.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -160.49 152.81 17.18 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -71.95 155.58 57.37 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.814 1.676 . . . . 0.0 112.874 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.16 178.48 7.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.676 1.191 . . . . 0.0 110.442 163.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -136.91 159.48 36.98 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 C-N-CA 124.538 1.135 . . . . 0.0 109.822 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.71 94.26 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -165.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.836 0 N-CA-C 111.553 -0.21 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -160.2 105.65 1.52 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.491 1.116 . . . . 0.0 109.753 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -78.39 137.24 37.91 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.745 -0.597 . . . . 0.0 109.408 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -142.86 123.94 11.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.753 1.621 . . . . 0.0 108.045 -170.137 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 11.6 tt0 -79.89 113.0 17.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 129.563 3.145 . . . . 0.0 108.76 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.05 166.67 17.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.463 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.33 138.2 40.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.855 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.44 -52.09 13.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.915 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -23.08 62.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.736 0.698 . . . . 0.0 111.274 -171.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -56.91 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.194 1.798 . . . . 0.0 107.657 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -57.6 -26.11 26.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 119.937 1.244 . . . . 0.0 114.011 -170.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -58.58 6.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.31 1.444 . . . . 0.0 108.735 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.21 -23.01 63.69 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmt -81.62 -67.25 0.8 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.04 -17.93 3.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.179 2.192 . . . . 0.0 112.803 174.084 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.95 -3.85 14.43 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 125.675 1.59 . . . . 0.0 112.574 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.7 38.69 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 119.983 1.265 . . . . 0.0 109.865 164.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 -21.97 59.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.239 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.81 -19.06 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 111.779 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 64.2 t80 -69.98 -54.98 10.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.053 -1.029 . . . . 0.0 111.791 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -77.24 -32.9 56.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.687 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -73.24 -40.17 64.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.619 1.168 . . . . 0.0 110.526 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.49 119.25 28.6 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.69 145.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 126.281 1.832 . . . . 0.0 112.858 -167.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 44.8 mt -107.53 154.67 21.05 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.844 1.658 . . . . 0.0 108.19 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.8 m -111.84 88.07 2.71 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.2 mp -70.14 110.59 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 O-C-N 120.798 -1.189 . . . . 0.0 110.359 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.03 86.49 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 125.55 1.54 . . . . 0.0 107.438 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 40' ' ' ILE . 5.0 m -75.75 95.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.489 1.915 . . . . 0.0 107.76 -177.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 57.25 26.21 12.01 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.844 0.857 . . . . 0.0 112.423 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.01 -6.69 30.9 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.982 1.277 . . . . 0.0 114.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -99.29 124.71 44.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 119.122 1.461 . . . . 0.0 108.569 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -98.69 110.29 22.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.033 0.533 . . . . 0.0 111.005 -161.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.446 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.11 127.26 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.408 0.683 . . . . 0.0 109.185 -169.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -85.61 123.34 30.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.194 0.998 . . . . 0.0 110.672 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' CG2' HD13 ' A' ' 63' ' ' ILE . 26.9 m -152.24 159.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 125.036 1.334 . . . . 0.0 113.299 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -132.29 136.75 47.13 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.383 1.073 . . . . 0.0 110.74 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.02 57.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.831 0.707 . . . . 0.0 112.415 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.19 -32.22 3.0 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.961 0.788 . . . . 0.0 112.565 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 96.24 2.49 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 126.389 1.876 . . . . 0.0 106.561 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 89' ' ' ILE . 30.4 m -82.93 145.66 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 158.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -124.31 115.61 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.488 1.915 . . . . 0.0 105.939 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -74.77 165.07 25.83 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.021 0.529 . . . . 0.0 110.538 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 160.27 69.66 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.339 0.656 . . . . 0.0 110.761 169.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -81.5 -7.04 12.74 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.19 2.593 . . . . 0.0 113.67 -172.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -146.73 -57.79 0.28 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.606 1.093 . . . . 0.0 111.825 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 16.5 ptmt -77.0 158.21 80.46 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.051 1.74 . . . . 0.0 109.524 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.5 18.54 0.69 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.783 2.989 . . . . 0.0 114.552 -170.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 70.3 mmtt -77.56 -164.07 0.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.057 1.743 . . . . 0.0 111.178 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -128.79 139.15 52.32 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.984 2.114 . . . . 0.0 108.06 -178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -36.98 16.6 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.276 1.03 . . . . 0.0 110.632 170.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -173.15 156.74 3.28 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.452 1.101 . . . . 0.0 109.319 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.693 HD11 HD13 ' A' ' 86' ' ' LEU . 83.3 mt -145.78 149.03 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -119.94 161.33 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.602 164.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.58 157.27 43.16 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 165.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.49 150.96 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -58.45 91.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.792 2.037 . . . . 0.0 110.753 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.043 0.937 . . . . 0.0 111.438 169.326 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 CA-C-O 123.008 1.385 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 10.1 m -81.3 129.39 34.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 128.059 2.543 . . . . 0.0 108.578 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.85 77.91 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -170.402 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -56.88 109.61 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.693 1.197 . . . . 0.0 108.648 -175.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.34 -162.34 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.12 1.368 . . . . 0.0 107.398 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -151.56 147.09 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 104.389 -2.448 . . . . 0.0 104.389 164.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.86 144.22 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.433 0.635 . . . . 0.0 110.467 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -136.28 153.97 51.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.933 174.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.6 mmpt? -135.97 1.83 2.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 112.256 166.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 10.36 0.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.813 2.445 . . . . 0.0 114.798 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.59 -56.53 5.05 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.72 1.608 . . . . 0.0 113.939 -159.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -16.2 -66.1 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.285 3.326 . . . . 0.0 114.351 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -11.06 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.816 158.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.34 69.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.558 1.075 . . . . 0.0 112.966 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -79.51 -56.6 4.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.857 0.863 . . . . 0.0 111.238 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.5 m -63.84 -17.31 63.01 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.322 -0.861 . . . . 0.0 112.433 -170.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -76.53 -52.73 9.2 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.253 167.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -65.94 -41.06 91.8 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.06 1.755 . . . . 0.0 109.671 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -59.82 -61.6 2.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.854 1.261 . . . . 0.0 111.335 176.066 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -24.16 67.65 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.217 0.917 . . . . 0.0 112.091 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 -16.16 61.45 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.6 18.67 8.06 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 125.546 1.538 . . . . 0.0 112.478 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.01 9.34 6.1 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -85.61 176.49 8.16 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 108.392 167.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -158.4 152.9 20.46 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -71.91 156.43 56.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 113.047 -175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.75 -178.73 5.55 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.715 1.206 . . . . 0.0 110.581 162.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.7 tp -136.94 157.36 35.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 C-N-CA 124.574 1.15 . . . . 0.0 110.114 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.808 HD11 HG13 ' A' ' 63' ' ' ILE . 56.8 mt -125.2 86.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 5.2 p90 . . . . . 0 N--CA 1.453 -0.306 0 C-N-CA 122.975 0.51 . . . . 0.0 112.323 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 9.1 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 CA-C-O 120.543 0.143 . . . . 0.0 112.19 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tp -148.81 101.77 3.22 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.005 0.522 . . . . 0.0 110.016 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 135.33 46.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.78 138.72 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 -177.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -85.56 115.96 23.58 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.071 2.149 . . . . 0.0 109.389 169.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -130.91 166.44 20.91 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.333 0.653 . . . . 0.0 111.201 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 131.44 40.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.506 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -66.71 -48.8 68.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.713 0.633 . . . . 0.0 109.616 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.38 -31.1 70.23 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.52 0.6 . . . . 0.0 111.181 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' ILE . 22.6 ttmt -58.85 -76.76 0.04 OUTLIER 'General case' 0 C--N 1.348 0.527 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 165.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 1.9 p -56.65 -26.72 24.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -166.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -60.24 3.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.799 1.639 . . . . 0.0 108.794 171.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.09 -22.87 63.3 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -83.01 -66.16 0.92 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -173.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.67 -18.08 4.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.11 2.164 . . . . 0.0 112.687 173.332 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.86 -2.85 13.44 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.468 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.65 158.11 37.2 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.799 1.636 . . . . 0.0 110.296 163.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.67 62.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.381 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.04 -18.16 32.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.221 1.408 . . . . 0.0 112.029 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 73.1 t80 -74.23 -53.37 9.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 120.98 -1.075 . . . . 0.0 112.05 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -78.64 -27.09 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.044 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -77.27 -48.9 16.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.917 1.287 . . . . 0.0 110.373 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.22 126.86 54.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -165.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.29 143.18 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.135 1.374 . . . . 0.0 112.436 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 24.9 mt -105.72 147.98 27.95 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 125.459 1.504 . . . . 0.0 108.088 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 16.5 m -106.98 100.56 10.05 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.808 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.35 108.15 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.731 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 5' ' ' ASN . 45.3 t -93.27 83.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 70' ' ' ILE . 16.0 m -72.77 94.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.558 1.543 . . . . 0.0 108.185 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 56.16 26.09 9.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.11 0.964 . . . . 0.0 112.443 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.31 25.76 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.853 1.216 . . . . 0.0 114.531 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -97.2 123.29 40.93 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.286 1.543 . . . . 0.0 108.544 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -96.93 111.71 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.442 0.697 . . . . 0.0 111.17 -164.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.506 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.69 124.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -170.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.02 125.51 33.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 111.045 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 70' ' ' ILE . 22.7 m -152.72 159.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 C-N-CA 124.656 1.182 . . . . 0.0 112.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -132.0 135.9 46.89 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.139 0.976 . . . . 0.0 109.642 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 136.04 54.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.939 0.775 . . . . 0.0 111.523 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -118.66 -40.53 2.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.317 1.047 . . . . 0.0 110.863 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -151.8 98.55 2.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 89' ' ' ILE . 35.2 m -76.88 145.55 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 161.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -119.03 111.28 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -78.99 164.04 24.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 110.243 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 160.78 77.78 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 123.001 0.52 . . . . 0.0 111.546 169.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -84.65 -11.1 8.21 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.441 2.76 . . . . 0.0 113.99 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -137.9 -56.25 0.67 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 120.258 1.39 . . . . 0.0 110.966 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -81.8 162.63 57.02 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.373 1.469 . . . . 0.0 109.966 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.38 19.48 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.645 2.897 . . . . 0.0 113.814 -172.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -75.13 -169.98 1.05 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.496 1.518 . . . . 0.0 111.061 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 11.0 mt -122.94 148.25 45.69 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.522 1.929 . . . . 0.0 108.07 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -101.81 -31.86 10.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.926 1.29 . . . . 0.0 110.995 170.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -175.73 158.99 2.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.157 1.383 . . . . 0.0 109.058 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -145.23 150.39 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -123.27 156.28 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.712 0.805 . . . . 0.0 108.845 167.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.53 150.57 52.14 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.521 1.529 . . . . 0.0 107.198 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 m -102.54 148.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -57.1 95.22 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.433 1.493 . . . . 0.0 110.262 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.799 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.95 -68.31 0.33 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.865 1.266 . . . . 0.0 110.02 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 HG23 ' HB ' ' A' ' 62' ' ' THR . 9.0 m 54.27 103.29 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.138 2.575 . . . . 0.0 114.586 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.73 86.02 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -169.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -60.99 119.43 8.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.29 -162.2 1.05 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.439 1.496 . . . . 0.0 108.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -156.33 140.6 16.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.488 2.315 . . . . 0.0 105.27 168.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.9 m -64.48 142.17 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.483 -0.761 . . . . 0.0 111.414 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.13 151.94 39.26 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -133.5 -3.31 3.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.285 1.834 . . . . 0.0 113.638 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.94 13.63 0.37 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.799 2.04 . . . . 0.0 114.797 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -32.73 9.52 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -172.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.38 -5.37 0.07 OUTLIER Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.097 2.284 . . . . 0.0 118.112 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 8.8 mmtp 144.16 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 133.986 4.914 . . . . 0.0 110.941 166.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.96 74.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.257 0.932 . . . . 0.0 112.539 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -68.51 -47.76 66.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.203 1.001 . . . . 0.0 110.063 173.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -24.6 65.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.831 -0.543 . . . . 0.0 111.551 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -23.68 17.96 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 116.35 -1.786 . . . . 0.0 113.899 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.99 -41.32 17.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 121.416 1.916 . . . . 0.0 109.743 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.17 -56.16 21.52 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.721 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -27.61 67.23 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 118.894 0.77 . . . . 0.0 112.262 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.61 63.06 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.23 16.27 7.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.294 1.038 . . . . 0.0 113.14 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.34 14.68 8.07 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -83.52 176.5 9.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 162.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -164.4 129.88 2.08 Favored Pre-proline 0 N--CA 1.447 -0.614 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -159.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -70.57 156.9 60.3 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.675 1.584 . . . . 0.0 113.042 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.39 -178.79 6.15 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.182 1.393 . . . . 0.0 111.078 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 37' ' ' PRO . 8.6 tp -139.75 161.26 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.208 1.403 . . . . 0.0 110.274 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.793 HD11 HG13 ' A' ' 63' ' ' ILE . 52.5 mt -131.74 92.56 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.806 2.042 . . . . 0.0 105.586 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD1' HG12 ' A' ' 92' ' ' VAL . 3.7 p90 -115.79 -177.37 3.14 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.69 43.21 36.68 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.54 -103.5 0.53 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 178.13 -28.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.308 2.243 . . . . 0.0 110.323 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.15 -71.42 0.6 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . . . -161.55 163.92 19.02 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 122.986 0.514 . . . . 0.0 112.348 169.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.3 Cg_exo -66.09 -168.88 0.14 Allowed 'Trans proline' 0 CA--C 1.535 0.538 1 C-N-CA 126.293 4.662 . . . . 0.0 116.282 173.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.9 107.6 2.98 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.348 1.059 . . . . 0.0 110.557 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.24 138.46 41.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.428 0.291 . . . . 0.0 110.544 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.456 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.27 132.91 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 126.335 1.854 . . . . 0.0 107.76 -175.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.64 121.78 27.71 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 128.145 2.578 . . . . 0.0 108.568 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -137.44 170.39 16.16 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.741 0.782 . . . . 0.0 111.267 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 7.0 t70 -74.67 130.3 39.28 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.235 1.414 . . . . 0.0 109.724 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.9 -50.84 63.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.346 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.76 -28.61 67.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.516 0.598 . . . . 0.0 111.714 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 50' ' ' MET . 21.9 ttmm -59.43 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.147 162.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.34 -27.72 17.49 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 119.68 1.127 . . . . 0.0 113.884 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 tpt -47.01 -65.1 0.62 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 126.191 1.796 . . . . 0.0 110.178 165.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -55.02 -23.1 17.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.851 1.205 . . . . 0.0 114.127 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.1 mmm -84.99 -65.27 1.03 Allowed 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -170.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.63 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.4 pp0? -61.52 -7.8 3.58 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 120.194 1.361 . . . . 0.0 114.113 173.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -2.43 24.81 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 125.657 1.583 . . . . 0.0 112.503 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 157.9 31.98 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.944 1.247 . . . . 0.0 109.615 160.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -25.26 59.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -52.9 -25.64 12.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.73 2.012 . . . . 0.0 111.578 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 34.7 t80 -74.65 -39.91 61.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.262 -0.899 . . . . 0.0 113.358 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -91.34 -28.43 17.74 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.578 0.549 . . . . 0.0 112.057 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 t -83.05 -23.39 33.21 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.791 1.236 . . . . 0.0 110.77 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.74 162.29 27.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -74.06 150.75 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.691 0.796 . . . . 0.0 112.365 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 56' ' ' PHE . 12.3 mt -117.36 158.21 24.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.56 2.344 . . . . 0.0 108.256 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.4 m -113.51 98.99 7.41 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.696 0.68 . . . . 0.0 109.24 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.793 HG13 HD11 ' A' ' 30' ' ' ILE . 3.2 mm -75.59 110.04 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 O-C-N 121.037 -1.039 . . . . 0.0 109.148 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.65 84.72 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG22 HD13 ' A' ' 70' ' ' ILE . 21.9 m -76.35 97.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 125.35 1.46 . . . . 0.0 107.648 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.03 29.95 15.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.206 0.602 . . . . 0.0 111.836 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.41 -2.76 46.53 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.473 -1.182 . . . . 0.0 114.607 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.8 127.22 48.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.395 1.597 . . . . 0.0 109.167 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.84 109.62 21.26 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.419 0.688 . . . . 0.0 110.831 -159.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.79 125.85 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -168.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -87.51 124.79 33.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.377 0.671 . . . . 0.0 110.509 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 32.7 m -152.34 159.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 C-N-CA 125.621 1.568 . . . . 0.0 111.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 134.99 48.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 123.645 0.778 . . . . 0.0 109.024 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -66.47 141.01 58.05 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.555 0.534 . . . . 0.0 111.835 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -135.6 -26.28 1.24 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.962 0.789 . . . . 0.0 111.89 -166.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.65 97.48 2.12 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 127.438 2.295 . . . . 0.0 105.234 171.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 89' ' ' ILE . 20.6 m -91.26 139.95 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 160.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -115.97 117.92 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.204 1.802 . . . . 0.0 106.379 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -78.92 162.71 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.947 0.499 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 158.62 71.12 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 123.098 0.559 . . . . 0.0 110.001 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.75 -20.22 10.67 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.657 2.904 . . . . 0.0 113.199 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.16 -35.33 0.32 Allowed 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.774 0.716 . . . . 0.0 111.949 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.01 153.94 84.72 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.301 1.04 . . . . 0.0 109.834 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.33 58.26 6.91 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 124.17 3.247 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -133.91 -168.1 2.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.925 1.29 . . . . 0.0 109.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 89' ' ' ILE . 15.1 mt -124.86 151.99 44.56 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.725 1.61 . . . . 0.0 109.315 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.93 -34.94 10.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.412 1.485 . . . . 0.0 110.853 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -179.65 158.19 0.79 Allowed 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.329 1.452 . . . . 0.0 109.553 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.739 HG23 HG12 ' A' ' 77' ' ' VAL . 95.4 mt -141.9 146.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -121.21 165.51 15.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.992 165.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.72 157.73 45.94 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 31' ' ' TYR . 22.5 m -118.15 145.85 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 118.016 0.371 . . . . 0.0 110.562 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -53.94 92.4 0.01 OUTLIER 'General case' 0 C--N 1.341 0.238 0 C-N-CA 127.208 2.203 . . . . 0.0 111.77 -169.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.582 170.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C2'-C3'-O3' 118.592 2.711 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 P-O3'-C3' 125.625 4.938 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C1'-N19 110.975 2.775 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 1 O4'-C1'-N19 112.67 4.47 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 1 O4'-C1'-N19 114.491 6.291 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C5'-C4'-O4' 113.412 3.008 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 1 O4'-C1'-N19 113.032 4.832 . 0.109 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.42 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.464 1 O4'-C1'-N19 113.098 4.898 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 C4'-C3'-C2' 97.781 -4.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 N19-C1'-C2' 106.608 -4.245 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 2 O4'-C1'-N19 113.032 4.832 . 0.096 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 O4'-C1'-N19 111.357 3.157 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 111.194 2.994 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 1 O4'-C1'-N19 114.518 6.318 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C5'-C4'-C3' 110.246 -3.503 OUTLIER-DELTA 0.037 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 O4'-C1'-N19 112.482 4.282 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 1 O4'-C1'-N19 112.97 4.77 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 O4'-C1'-N19 112.565 4.365 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.691 0 C3'-C2'-C1' 104.725 3.583 . 0.01 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.623 1 P-O3'-C3' 126.93 6.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.964 0 O4'-C1'-N19 112.156 3.956 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 113.221 5.021 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 O4'-C1'-N19 112.142 3.942 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 113.772 5.572 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 110.155 -3.563 OUTLIER-DELTA 0.093 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.425 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.794 1 O4'-C1'-N19 113.479 5.279 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-O4' 113.632 3.166 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 1 O4'-C1'-N19 112.279 4.079 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 O4'-C1'-N19 111.562 3.362 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.786 3.586 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 1 O4'-C1'-N19 112.524 4.324 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 O4'-C1'-N19 112.287 4.087 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 112.252 4.052 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.94 1 O4'-C1'-N19 113.086 4.886 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 110.844 2.644 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.417 3.217 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.985 0 O4'-C1'-N19 111.037 2.837 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -58.15 -66.35 0.5 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.104 1.361 . . . . 0.0 110.408 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 m 55.22 100.01 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.122 2.569 . . . . 0.0 115.072 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -103.63 85.27 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -166.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.58 92.1 0.09 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.136 0.974 . . . . 0.0 111.073 -168.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.56 -161.22 0.84 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.25 147.36 27.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 165.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.86 141.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 121.67 -0.644 . . . . 0.0 110.485 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -134.01 157.42 46.14 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.621 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -136.89 -0.58 2.29 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.939 1.696 . . . . 0.0 113.172 167.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -66.96 10.42 0.14 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.34 2.256 . . . . 0.0 115.739 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -30.05 22.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.56 -12.97 0.42 Allowed Glycine 0 CA--C 1.544 1.894 0 C-N-CA 126.457 1.979 . . . . 0.0 116.679 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.683 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 5.8 mmtp 157.01 -28.97 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 1 C-N-CA 132.341 4.256 . . . . 0.0 111.477 158.804 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.94 -31.93 58.93 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.257 0.932 . . . . 0.0 112.764 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.05 9.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.459 1.104 . . . . 0.0 110.061 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 m -62.31 -19.83 63.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.711 -0.618 . . . . 0.0 112.512 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.61 -34.44 13.31 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 116.925 -1.512 . . . . 0.0 113.021 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.63 -40.82 63.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.333 1.879 . . . . 0.0 110.224 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -53.97 40.75 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.031 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -60.12 -27.65 67.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.016 0.825 . . . . 0.0 111.906 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.81 -11.53 60.41 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.27 17.96 7.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.24 1.416 . . . . 0.0 112.75 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 65.52 10.33 6.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.587 0.755 . . . . 0.0 112.913 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -86.64 176.68 7.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.301 1.44 . . . . 0.0 108.502 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.2 p90 -159.82 152.97 18.34 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.55 158.28 47.81 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.698 1.599 . . . . 0.0 113.358 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.33 179.28 6.55 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.364 1.066 . . . . 0.0 111.022 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -136.69 158.0 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.606 1.162 . . . . 0.0 110.025 169.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -128.86 104.95 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CE1' HG12 ' A' ' 92' ' ' VAL . 5.0 p90 -119.36 -168.8 1.64 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.793 0.837 . . . . 0.0 111.464 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.33 -1.76 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-O 118.36 -1.244 . . . . 0.0 115.551 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.06 28.15 24.57 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.908 1.242 . . . . 0.0 115.055 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -126.08 -35.99 2.39 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 127.933 2.493 . . . . 0.0 114.047 -175.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.48 -4.52 5.38 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.374 1.069 . . . . 0.0 113.77 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.87 130.31 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 127.741 2.416 . . . . 0.0 112.075 -159.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.704 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.4 Cg_exo -54.02 179.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 1 C-N-CA 126.74 4.96 . . . . 0.0 120.116 -169.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -151.0 97.56 2.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.45 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 135.61 48.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.25 132.5 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.7 124.8 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.936 1.694 . . . . 0.0 108.788 169.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.53 165.19 28.13 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 121.298 0.571 . . . . 0.0 111.071 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.89 138.71 39.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.25 -50.49 22.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.385 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -26.12 66.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.01 0.823 . . . . 0.0 111.346 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.26 -80.06 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.752 1.621 . . . . 0.0 108.563 166.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CE1' ' A' ' 26' ' ' PHE . 1.9 p -51.37 -27.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -60.93 2.59 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 108.686 171.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.11 -25.27 58.51 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.8 mmt -80.14 -67.29 0.78 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 118.947 0.794 . . . . 0.0 108.868 -175.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.88 -17.44 3.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.109 2.163 . . . . 0.0 112.791 174.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.26 -5.42 22.84 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 125.499 1.52 . . . . 0.0 112.685 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.79 157.46 37.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.404 1.456 . . . . 0.0 110.368 165.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.82 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.438 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -22.89 41.11 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.192 1.397 . . . . 0.0 111.844 171.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 58.1 t80 -76.02 -45.14 36.04 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.343 -0.848 . . . . 0.0 112.894 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -86.74 -29.55 22.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.66 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -86.64 -18.55 31.07 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.846 0.859 . . . . 0.0 111.371 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 145.33 51.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.44 152.12 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.766 0.826 . . . . 0.0 112.413 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HB3' HD11 ' A' ' 4' ' ' ILE . 35.7 mt -116.76 155.17 29.38 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.977 1.711 . . . . 0.0 107.638 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 m -110.01 89.04 2.9 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.549 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mp -66.49 112.86 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 170.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.9 t -93.43 85.55 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 HG22 ' A' ' 63' ' ' ILE . 15.9 m -71.64 96.87 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.445 1.498 . . . . 0.0 108.765 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.64 25.52 8.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.455 1.102 . . . . 0.0 112.605 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.49 -4.55 29.59 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.944 1.259 . . . . 0.0 114.491 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -100.63 126.32 47.11 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 119.318 1.559 . . . . 0.0 108.405 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -102.8 108.49 19.74 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.725 0.41 . . . . 0.0 110.526 -159.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -114.18 125.46 71.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -168.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -87.56 119.27 27.68 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.783 0.833 . . . . 0.0 110.516 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.549 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.5 m -148.86 159.52 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -129.03 133.21 47.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.97 1.308 . . . . 0.0 109.54 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.7 142.9 57.25 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.617 0.573 . . . . 0.0 112.409 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -129.56 -38.44 1.53 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.958 0.903 . . . . 0.0 111.759 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.51 90.44 1.94 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.943 2.097 . . . . 0.0 105.908 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 89' ' ' ILE . 33.7 m -81.06 139.77 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 158.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -116.6 112.44 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -74.78 163.37 27.75 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.928 0.491 . . . . 0.0 109.863 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 159.32 70.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.096 0.558 . . . . 0.0 110.55 168.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.53 -9.27 13.59 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.538 2.825 . . . . 0.0 113.662 -171.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -148.02 -56.21 0.22 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.546 1.066 . . . . 0.0 112.259 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -78.87 154.41 77.99 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.854 1.662 . . . . 0.0 110.201 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.76 76.84 3.91 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.738 2.959 . . . . 0.0 110.982 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -137.4 -168.55 2.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.573 1.549 . . . . 0.0 109.433 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 89' ' ' ILE . 11.7 mt -127.65 153.54 46.34 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.975 2.11 . . . . 0.0 108.399 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.724 1.61 . . . . 0.0 110.448 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -175.79 157.7 2.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 125.575 1.55 . . . . 0.0 108.702 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 86' ' ' LEU . 82.6 mt -144.71 150.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.29 166.14 17.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.396 166.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -139.06 155.84 47.63 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.98 1.312 . . . . 0.0 107.939 170.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.43 HG12 ' CE1' ' A' ' 31' ' ' TYR . 4.8 m -112.1 149.76 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -57.81 93.54 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.691 1.596 . . . . 0.0 111.967 -175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.103 -1.903 . . . . 0.0 112.307 167.511 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 1 O4'-C1'-N19 112.621 4.421 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 110.285 2.085 . 0.081 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.869 4.669 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 1 O4'-C1'-N19 114.341 6.141 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 C5'-C4'-O4' 112.481 2.344 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-C3' 111.735 -2.51 . 0.862 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.449 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.594 1 O4'-C1'-N19 112.766 4.566 . 0.331 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 C4'-C3'-C2' 97.441 -5.259 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 0 N19-C1'-C2' 108.243 -3.223 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 2 P-O3'-C3' 125.336 4.697 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 O4'-C1'-N19 111.865 3.665 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.356 3.156 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 114.082 5.882 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 C5'-C4'-C3' 111.029 -2.98 . 0.011 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 1 O4'-C1'-N19 112.857 4.657 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 O4'-C1'-N19 113.893 5.693 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.578 " C2'" ' H41' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 104.225 3.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 O4'-C1'-N19 112.654 4.454 . 0.137 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . 0.578 ' H41' " C2'" ' B' ' 284' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.069 0 C4'-C3'-O3' 116.627 2.318 OUTLIER-EPSILON 0.375 2[ . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 2 P-O3'-C3' 125.679 4.983 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 112.112 3.912 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.507 3.307 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 2 O4'-C1'-N19 114.108 5.908 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.263 -2.825 . 0.155 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.683 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.831 1 O4'-C1'-N19 113.134 4.934 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-O4' 113.251 2.893 . 0.427 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 112.049 3.849 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 O4'-C1'-N19 111.927 3.727 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 112.395 4.195 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.448 4.248 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C4'-C3'-C2' 99.435 -3.265 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 110.936 2.736 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 O4'-C1'-N19 110.704 2.504 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.675 4.475 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 111.578 3.378 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 tpt . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 119.081 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -59.23 -68.29 0.29 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.562 1.145 . . . . 0.0 109.953 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 m 56.7 104.22 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.016 2.526 . . . . 0.0 114.141 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.448 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -107.45 85.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-O 121.952 0.882 . . . . 0.0 109.482 -168.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.491 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.9 m120 -59.52 117.9 5.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.28 1.032 . . . . 0.0 109.673 -172.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.38 -161.5 1.04 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.728 1.211 . . . . 0.0 108.473 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.93 140.84 21.07 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 165.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 38' ' ' LEU . 27.3 m -53.92 153.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.797 1.239 . . . . 0.0 111.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' A' ' 16' ' ' ALA . 60.4 mtp180 -130.18 151.99 50.11 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.881 1.272 . . . . 0.0 112.35 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.56 12.96 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.492 2.717 . . . . 0.0 110.379 -175.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -111.27 13.0 21.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.565 1.946 . . . . 0.0 111.233 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -25.96 67.48 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 115.654 -162.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 -0.91 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 128.067 2.746 . . . . 0.0 118.509 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 141.64 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 1 C-N-CA 135.705 5.602 . . . . 0.0 109.974 163.343 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.22 -37.56 38.61 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.199 1.38 . . . . 0.0 113.026 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.43 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -61.63 -55.28 32.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.913 0.885 . . . . 0.0 110.893 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.47 -28.15 58.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.562 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 -32.18 12.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 116.231 -1.842 . . . . 0.0 113.641 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -65.93 -42.11 90.52 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 121.987 2.176 . . . . 0.0 109.619 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -61.23 -60.41 3.79 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.709 1.204 . . . . 0.0 110.75 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -66.49 -19.82 65.88 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 119.066 0.848 . . . . 0.0 112.468 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -16.94 62.6 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.8 -53.8 3.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.205 1.002 . . . . 0.0 110.192 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 p30 136.9 -9.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 1 C-N-CA 132.293 4.237 . . . . 0.0 112.625 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -74.68 173.2 10.81 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.068 1.347 . . . . 0.0 107.59 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 1.3 p90 -156.0 153.28 25.39 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.55 155.44 50.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.024 1.816 . . . . 0.0 112.741 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.3 7.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.842 1.257 . . . . 0.0 110.655 163.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.6 tp -134.57 155.59 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.44 1.496 . . . . 0.0 110.713 174.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.756 HD11 HG13 ' A' ' 63' ' ' ILE . 53.8 mt -125.27 81.29 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 C-N-CA 125.816 1.647 . . . . 0.0 106.604 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 0.1 OUTLIER -93.23 -173.99 3.41 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.217 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.04 106.21 1.03 Allowed Glycine 0 CA--C 1.522 0.487 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -158.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.22 62.41 1.77 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.862 1.22 . . . . 0.0 111.161 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -143.67 -41.18 0.29 Allowed 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.878 2.871 . . . . 0.0 110.15 -171.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.42 -1.51 4.99 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.57 1.548 . . . . 0.0 112.404 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.78 152.68 0.12 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 126.514 1.926 . . . . 0.0 110.599 -158.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.1 Cg_exo -62.0 179.26 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.614 2.876 . . . . 0.0 116.879 -175.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 HG12 ' A' ' 8' ' ' VAL . 4.0 tt -155.22 108.86 2.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.961 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.77 53.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.954 -0.546 . . . . 0.0 109.746 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.593 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -139.45 146.22 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.983 1.313 . . . . 0.0 108.03 174.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -103.21 106.33 16.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.308 3.043 . . . . 0.0 107.157 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.45 167.75 15.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.102 0.953 . . . . 0.0 112.195 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 51.8 t0 -69.58 123.85 22.41 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.013 1.725 . . . . 0.0 108.125 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -52.15 42.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.132 0.573 . . . . 0.0 110.801 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.281 0.491 . . . . 0.0 111.333 -172.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 20.2 ttmm -60.02 -75.08 0.06 Allowed 'General case' 0 C--N 1.344 0.353 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.023 163.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.13 -27.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 119.886 1.221 . . . . 0.0 113.97 -170.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 tpp -50.19 -62.34 1.64 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.135 0.974 . . . . 0.0 108.779 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.8 -20.73 37.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.42 -67.41 0.79 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.31 -18.35 2.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.543 2.337 . . . . 0.0 112.738 174.042 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.57 22.95 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.422 1.489 . . . . 0.0 112.599 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.24 160.82 23.07 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.275 1.398 . . . . 0.0 110.532 166.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -74.03 -24.72 59.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.62 -23.87 18.95 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.736 1.614 . . . . 0.0 111.398 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' HD21 ' A' ' 61' ' ' LEU . 73.0 t80 -73.16 -49.06 30.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 121.126 -0.984 . . . . 0.0 112.536 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 54' ' ' ALA . 13.3 p90 -83.43 -29.38 28.14 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.242 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -84.74 -18.58 34.71 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.404 1.082 . . . . 0.0 111.898 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.75 143.64 47.26 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 147.29 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.711 0.805 . . . . 0.0 112.191 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.6 mt -114.95 161.35 18.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.711 1.604 . . . . 0.0 108.649 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -117.31 97.17 5.76 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 109.664 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.756 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -76.21 111.05 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.0 t -93.62 82.88 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 14.2 m -74.53 99.54 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.114 1.766 . . . . 0.0 106.416 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t70 56.85 30.45 17.89 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.811 0.338 . . . . 0.0 111.669 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.53 58.49 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.657 -1.079 . . . . 0.0 114.46 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -100.07 122.88 43.62 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.154 1.477 . . . . 0.0 108.385 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -98.51 108.83 21.62 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.098 0.959 . . . . 0.0 110.519 -162.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.89 131.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -171.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -85.96 128.01 34.75 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 123.449 0.699 . . . . 0.0 110.474 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 70' ' ' ILE . 32.0 m -151.86 163.16 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -135.25 136.09 41.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.548 1.139 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.99 147.76 51.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -131.19 -38.67 1.21 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.732 1.213 . . . . 0.0 112.33 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -141.75 80.81 1.74 Allowed 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.602 HG12 HG23 ' A' ' 89' ' ' ILE . 25.8 m -77.14 140.77 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 158.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -121.87 114.95 21.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -76.01 162.19 28.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.031 0.532 . . . . 0.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 159.71 72.48 Favored Pre-proline 0 CA--C 1.536 0.441 0 C-N-CA 123.531 0.732 . . . . 0.0 110.778 169.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.82 -8.88 13.32 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.191 2.594 . . . . 0.0 113.77 -173.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -147.27 -55.2 0.23 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.88 1.218 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 83' ' ' LYS . 18.7 ptmt -83.24 157.15 65.92 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.012 1.725 . . . . 0.0 110.269 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.68 74.84 5.28 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.723 2.949 . . . . 0.0 111.167 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 72.7 mmtt -136.86 -167.66 2.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.659 1.584 . . . . 0.0 109.315 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD13 HD11 ' A' ' 89' ' ' ILE . 10.1 mt -133.41 137.85 45.97 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.934 1.694 . . . . 0.0 108.358 -172.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -86.65 -36.69 18.62 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.675 1.19 . . . . 0.0 110.511 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -176.24 154.67 1.4 Allowed 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 124.905 1.282 . . . . 0.0 109.644 -168.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.749 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -139.53 157.36 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -141.07 128.28 20.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.467 1.507 . . . . 0.0 107.521 -169.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -125.33 143.53 50.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -93.57 147.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.555 0.616 . . . . 0.0 109.489 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -58.09 89.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.155 2.182 . . . . 0.0 110.329 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.681 1.192 . . . . 0.0 111.734 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C4'-C3'-C2' 100.348 -2.352 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C4'-C3'-C2' 100.034 -2.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 O4'-C1'-N19 110.809 2.609 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 1 O4'-C1'-N19 112.938 4.738 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 1 O4'-C1'-N19 114.532 6.332 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 C5'-C4'-O4' 112.861 2.615 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 111.171 2.971 . 0.205 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.443 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 113.54 5.34 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 C4'-C3'-C2' 98.604 -4.096 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 0 C4'-C3'-C2' 99.797 -2.903 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 2 O4'-C1'-N19 112.893 4.693 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . 0.402 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 O4'-C1'-N19 111.388 3.188 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 110.772 2.572 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 O4'-C1'-N19 113.037 4.837 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.453 4.253 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 1 O4'-C1'-N19 112.806 4.606 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 112.061 3.861 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.12 2.92 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.179 3.979 . 0.672 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 P-O3'-C3' 123.675 3.312 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 N19-C1'-C2' 119.65 3.906 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 O4'-C1'-N19 112.157 3.957 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O4'-C1'-N19 111.822 3.622 . 0.294 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 O4'-C1'-N19 113.243 5.043 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C4'-C3'-C2' 99.549 -3.151 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 O4'-C1'-N19 113.658 5.458 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.15 0 C5'-C4'-O4' 113.321 2.944 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . 0.402 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.149 2.949 . 0.491 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 O4'-C1'-N19 111.873 3.673 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 112.158 3.958 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 112.092 3.892 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.511 4.311 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 O4'-C1'-N19 110.862 2.662 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.519 0 O4'-C1'-N19 111.369 3.169 . 0.222 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 110.757 2.557 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 O4'-C1'-N19 113.153 4.953 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C1'-N19 111.851 3.651 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.09 -69.97 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.813 1.245 . . . . 0.0 109.956 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m 58.61 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 128.117 2.567 . . . . 0.0 113.981 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.05 82.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -168.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.416 HD22 ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.25 107.39 0.64 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -175.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.86 -161.62 0.76 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.478 1.911 . . . . 0.0 107.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -152.15 142.95 22.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 167.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.48 144.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.642 -0.661 . . . . 0.0 110.835 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -138.15 157.48 46.23 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.077 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -136.57 -2.23 2.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.846 1.658 . . . . 0.0 113.361 168.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.35 13.15 0.18 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.8 2.44 . . . . 0.0 115.348 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -31.63 16.55 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -170.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.34 -1.43 0.03 OUTLIER Glycine 0 CA--C 1.546 1.99 0 C-N-CA 127.738 2.59 . . . . 0.0 117.919 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp 135.4 -25.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 1 C-N-CA 135.574 5.55 . . . . 0.0 110.264 169.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.49 -51.75 21.14 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.566 1.079 . . . . 0.0 111.798 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.09 69.3 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.202 1.401 . . . . 0.0 111.691 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 m -58.42 -29.37 66.06 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.801 -0.562 . . . . 0.0 111.51 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -40.15 15.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 115.941 -1.98 . . . . 0.0 111.793 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.73 78.49 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 122.041 2.201 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -60.7 2.44 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.455 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.12 -20.55 64.18 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-O 118.417 -0.802 . . . . 0.0 112.478 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.34 -15.84 59.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.82 -59.07 2.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.286 1.034 . . . . 0.0 108.868 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.9 p30 136.22 0.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 131.47 3.908 . . . . 0.0 111.813 -162.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -81.33 175.02 10.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 153.69 12.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.45 162.09 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.51 1.473 . . . . 0.0 114.064 -167.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.46 179.96 6.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.602 1.161 . . . . 0.0 111.35 162.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tp -135.52 157.48 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 125.63 1.572 . . . . 0.0 110.2 171.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG23 HG11 ' A' ' 72' ' ' VAL . 37.1 mt -127.85 94.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -117.31 -174.01 2.52 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -167.167 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.29 31.68 54.1 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.407 -0.361 . . . . 0.0 112.821 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.15 -102.99 0.83 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptt 174.59 -26.13 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.158 2.583 . . . . 0.0 110.592 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -93.78 -4.65 49.91 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.701 2.001 . . . . 0.0 111.339 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . 101.66 163.22 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 131.615 3.966 . . . . 0.0 109.855 -173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 10.6 Cg_endo -91.56 -166.98 0.19 Allowed 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.538 3.492 . . . . 0.0 112.318 -167.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tp -148.03 102.72 3.41 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.377 0.608 . . . . 0.0 110.509 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.61 134.35 45.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.441 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -131.07 141.3 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -90.94 113.78 26.09 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 127.586 2.354 . . . . 0.0 107.905 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.22 165.89 22.35 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 111.928 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -77.79 135.78 38.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -70.05 -52.37 24.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.382 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.05 -32.57 71.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.638 0.654 . . . . 0.0 111.964 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -58.72 -77.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.494 1.518 . . . . 0.0 108.67 166.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -60.54 -24.27 31.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 tpp -50.56 -64.32 0.84 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.134 1.374 . . . . 0.0 108.876 167.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -56.32 -18.99 12.38 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.326 0.966 . . . . 0.0 113.429 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -84.72 -65.69 0.98 Allowed 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -60.8 -9.01 3.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.024 1.284 . . . . 0.0 113.962 174.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.72 19.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.308 1.443 . . . . 0.0 111.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.94 158.28 32.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.881 1.218 . . . . 0.0 109.702 161.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.6 58.44 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.52 -19.18 23.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.377 1.871 . . . . 0.0 111.873 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 53.6 t80 -75.38 -46.54 32.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.398 -0.814 . . . . 0.0 112.764 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -85.87 -28.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.0 t -78.31 -37.69 44.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.019 1.328 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.71 148.09 49.9 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -66.9 151.89 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 123.716 0.806 . . . . 0.0 112.652 -167.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' A' ' 4' ' ' ILE . 17.6 mt -115.58 160.83 19.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.161 2.184 . . . . 0.0 108.248 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.5 m -118.14 96.0 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 118.77 0.714 . . . . 0.0 109.454 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.436 HG22 HG13 ' A' ' 65' ' ' VAL . 1.2 mt -80.87 109.08 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 120.399 -1.438 . . . . 0.0 111.99 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 5' ' ' ASN . 47.2 t -94.63 81.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.973 1.709 . . . . 0.0 108.228 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG22 HD13 ' A' ' 70' ' ' ILE . 34.7 m -74.5 94.93 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 126.21 1.804 . . . . 0.0 108.868 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.32 24.61 10.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.141 0.976 . . . . 0.0 112.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -2.86 34.48 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.823 1.201 . . . . 0.0 114.345 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -92.8 119.28 31.99 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.25 102.48 13.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.005 0.82 . . . . 0.0 110.679 -163.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.532 HG22 HG13 ' A' ' 72' ' ' VAL . 1.8 mp -105.91 127.06 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -167.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 14.4 mmtm -83.54 122.98 29.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.951 0.5 . . . . 0.0 110.506 175.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 70' ' ' ILE . 33.1 m -154.16 162.39 2.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 125.011 1.324 . . . . 0.0 112.194 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.4 137.35 24.26 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 138.83 56.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.177 0.923 . . . . 0.0 112.358 -169.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -16.18 7.97 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.356 1.035 . . . . 0.0 111.646 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -159.52 125.39 4.29 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.433 1.893 . . . . 0.0 106.64 164.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.7 m -103.72 143.45 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 160.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -120.82 98.85 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -163.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -77.48 161.85 27.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.847 0.859 . . . . 0.0 111.617 -170.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 159.52 33.32 Favored Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 122.655 0.382 . . . . 0.0 110.588 159.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.48 -24.24 2.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.537 2.825 . . . . 0.0 113.482 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -147.56 11.19 0.98 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.072 0.949 . . . . 0.0 112.052 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -131.84 155.42 81.4 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 125.29 1.436 . . . . 0.0 108.488 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.55 49.13 2.97 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.439 3.426 . . . . 0.0 111.119 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -118.32 -176.9 3.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.021 1.728 . . . . 0.0 109.517 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 89' ' ' ILE . 13.3 mt -121.84 164.99 16.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.068 1.747 . . . . 0.0 108.964 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.58 -27.56 3.11 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.796 2.439 . . . . 0.0 109.834 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 178.86 163.78 0.81 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 126.754 2.022 . . . . 0.0 109.265 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 73.2 mt -148.9 149.66 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 125.666 1.586 . . . . 0.0 106.993 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -120.83 155.03 34.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 164.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.31 149.62 52.48 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.35 148.94 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 118.409 0.549 . . . . 0.0 109.824 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -58.16 93.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.861 2.065 . . . . 0.0 110.52 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.794 -1.574 . . . . 0.0 111.727 170.543 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 O4'-C1'-N19 114.837 6.637 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 P-O3'-C3' 123.178 2.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 111.731 3.531 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 113.348 5.148 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 1 O4'-C1'-N19 114.948 6.748 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 0 C3'-C2'-C1' 104.22 3.022 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 P-O3'-C3' 125.522 4.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.521 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.582 1 O4'-C1'-N19 113.117 4.917 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 2 C4'-C3'-C2' 97.646 -5.054 . 0.023 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.773 0 C4'-C3'-C2' 100.228 -2.472 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 2 O4'-C1'-N19 113.304 5.104 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 111.204 3.004 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.379 3.179 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 1 O4'-C1'-N19 114.537 6.337 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.321 0 C5'-C4'-C3' 110.606 -3.263 . 0.032 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 1 O4'-C1'-N19 112.302 4.102 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 O4'-C1'-N19 112.778 4.578 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O4'-C1'-N19 112.279 4.079 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 0 O4'-C1'-N19 111.212 3.012 . 0.559 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 P-O3'-C3' 123.542 3.201 . 0.309 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . 0.414 ' N3 ' " H2'" ' B' ' 292' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.44 2 O4'-C1'-N19 112.878 4.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 2 O4'-C1'-N19 113.659 5.459 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 112.017 3.817 . 0.456 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 O4'-C1'-N19 114.341 6.141 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C1'-O4'-C4' 112.313 3.015 . 0.086 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 1 O4'-C1'-N19 113.009 4.809 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C5'-C4'-O4' 113.398 2.998 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 O4'-C1'-N19 111.45 3.25 . 0.351 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 O4'-C1'-N19 111.596 3.396 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 O4'-C1'-N19 111.764 3.564 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 1 O4'-C1'-N19 112.313 4.113 . 0.492 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 112.011 3.811 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 N19-C1'-C2' 108.318 -3.176 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C1'-N19 112.079 3.879 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 111.338 3.138 . 0.459 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 1 O4'-C1'-N19 112.456 4.256 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 O4'-C1'-N19 111.795 3.595 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptm . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 58.97 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.575 1.55 . . . . 0.0 109.035 -158.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.8 m 62.73 95.86 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.782 2.833 . . . . 0.0 112.542 172.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.48 84.1 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -166.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -60.24 117.59 5.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.24 -161.37 1.02 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.21 1.404 . . . . 0.0 108.059 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -158.08 139.82 13.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.438 1.895 . . . . 0.0 105.951 168.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.86 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 O-C-N 121.65 -0.656 . . . . 0.0 111.551 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -140.31 143.32 35.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.082 175.342 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 mmpt? -124.48 5.1 8.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.356 1.462 . . . . 0.0 112.951 173.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.43 11.49 2.97 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.235 2.214 . . . . 0.0 113.713 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -37.25 7.3 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.258 1.823 . . . . 0.0 115.426 -168.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.21 0.55 0.01 OUTLIER Glycine 0 CA--C 1.538 1.482 0 C-N-CA 130.359 3.838 . . . . 0.0 119.367 -170.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 2.2 mmtm 140.54 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 1 C-N-CA 136.769 6.028 . . . . 0.0 108.193 170.379 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.86 83.61 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.671 1.605 . . . . 0.0 113.607 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.46 27.35 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 118.548 1.174 . . . . 0.0 110.203 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -61.21 -20.17 62.48 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.068 -1.02 . . . . 0.0 112.559 -170.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -29.48 14.61 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.212 1.805 . . . . 0.0 113.411 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -77.09 -38.53 52.17 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.931 1.696 . . . . 0.0 109.89 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 41' ' ' GLU . 3.0 mp -58.71 -57.81 11.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.69 1.196 . . . . 0.0 110.125 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -63.09 -20.45 65.36 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.072 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.52 -15.28 59.92 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.49 -85.51 0.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 165.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.08 3.63 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 129.354 3.062 . . . . 0.0 110.85 173.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.11 176.42 8.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.8 2.04 . . . . 0.0 106.478 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.8 p90 -161.15 152.96 16.37 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -73.6 152.58 48.44 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.69 1.593 . . . . 0.0 112.364 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.33 179.96 6.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.009 1.324 . . . . 0.0 110.792 162.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -136.79 156.19 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 C-N-CA 124.144 0.977 . . . . 0.0 109.974 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.642 HD11 HG13 ' A' ' 63' ' ' ILE . 57.3 mt -127.15 93.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' PRO 0.251 5.5 p90 -105.17 -175.24 2.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -176.778 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.83 -14.04 0.1 OUTLIER Glycine 0 C--N 1.337 0.59 0 CA-C-O 118.134 -1.37 . . . . 0.0 114.984 -170.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 49.3 35.68 21.05 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.265 1.888 . . . . 0.0 115.715 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -129.99 -25.05 2.57 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 126.476 1.911 . . . . 0.0 113.035 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.47 6.23 3.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.871 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.9 153.42 0.11 Allowed Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 127.192 2.197 . . . . 0.0 110.92 -162.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 11.3 Cg_endo -91.51 -172.14 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.483 2.122 . . . . 0.0 112.119 -163.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -151.77 98.06 2.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.347 0.594 . . . . 0.0 110.014 -166.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' CZ ' ' A' ' 9' ' ' ARG . . . -66.93 132.94 49.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.26 142.85 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 179.032 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 20' ' ' LEU . 20.1 tt0 -93.46 113.92 26.18 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 128.026 2.53 . . . . 0.0 107.829 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.54 164.88 26.17 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.85 0.834 . . . . 0.0 111.194 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.0 132.88 40.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.263 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -66.89 -50.25 63.04 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.393 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.48 -34.78 76.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.384 0.538 . . . . 0.0 111.444 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -62.73 -73.79 0.1 Allowed 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -58.93 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -169.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 tpp -51.13 -63.38 1.15 Allowed 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.488 1.115 . . . . 0.0 108.542 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -56.87 -19.0 15.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.31 -67.78 0.76 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -60.41 -7.75 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 176.133 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -1.55 20.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.434 1.494 . . . . 0.0 111.877 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 158.99 31.95 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.012 1.278 . . . . 0.0 110.066 162.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -23.15 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.25 -20.6 28.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.191 1.796 . . . . 0.0 111.598 172.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 53.0 t80 -70.8 -52.11 22.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.191 -0.943 . . . . 0.0 112.073 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -81.46 -28.65 34.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.939 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -78.97 -34.74 43.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.924 1.29 . . . . 0.0 110.991 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 127.9 45.26 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -169.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.97 145.06 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.018 1.727 . . . . 0.0 113.3 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 8.3 mt -113.29 157.67 21.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.911 1.284 . . . . 0.0 108.194 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 3' ' ' THR . 8.7 m -113.41 100.51 8.59 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.18 0.514 . . . . 0.0 109.623 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.642 HG13 HD11 ' A' ' 30' ' ' ILE . 5.2 mm -80.2 104.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 124.912 1.285 . . . . 0.0 108.207 -177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.53 81.99 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 HD13 ' A' ' 70' ' ' ILE . 16.2 m -74.6 99.6 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.3 t70 56.06 30.93 17.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.012 0.434 . . . . 0.0 111.625 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.48 -3.0 57.66 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 118.581 -1.122 . . . . 0.0 114.578 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -101.1 125.05 47.69 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 119.305 1.552 . . . . 0.0 108.676 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -101.36 107.18 18.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.617 0.767 . . . . 0.0 111.283 -159.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.81 126.74 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -168.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.6 mmtm -85.67 124.51 32.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.548 0.739 . . . . 0.0 110.926 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG13 HG22 ' A' ' 70' ' ' ILE . 25.5 m -150.77 160.82 3.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 124.656 1.182 . . . . 0.0 113.416 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -132.9 134.97 45.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.624 1.17 . . . . 0.0 109.529 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 139.51 58.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.704 0.628 . . . . 0.0 112.158 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -28.73 4.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.276 1.03 . . . . 0.0 111.402 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.72 116.35 2.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.892 2.077 . . . . 0.0 106.072 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -93.52 141.73 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 159.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -122.03 100.81 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.796 2.038 . . . . 0.0 105.734 -171.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -76.7 166.01 23.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.188 1.795 . . . . 0.0 111.14 -168.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.41 159.62 11.48 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 122.68 0.392 . . . . 0.0 110.844 159.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -84.36 -21.24 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.931 2.421 . . . . 0.0 113.18 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -149.34 9.83 0.75 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.924 0.89 . . . . 0.0 112.866 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -135.77 157.02 76.97 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 124.848 1.259 . . . . 0.0 109.004 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.67 55.44 5.51 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.184 3.256 . . . . 0.0 111.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.58 -174.04 2.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.097 1.759 . . . . 0.0 110.187 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -124.98 162.05 25.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.106 1.762 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.9 -25.27 3.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.269 2.228 . . . . 0.0 110.409 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -176.09 159.03 2.06 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.603 1.561 . . . . 0.0 109.178 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 87.2 mt -146.74 152.5 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -124.06 159.35 30.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 165.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.6 156.8 48.06 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 106.608 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.77 147.45 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 118.575 0.625 . . . . 0.0 109.612 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -53.3 90.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.613 2.365 . . . . 0.0 111.034 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.574 172.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.181 -3.519 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 P-O3'-C3' 124.845 4.287 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 O4'-C1'-N19 111.231 3.031 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 113.668 5.468 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 O4'-C1'-N19 115.286 7.086 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O4'-C1'-N19 110.449 2.249 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.41 0 P-O3'-C3' 124.304 3.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.54 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.409 -3.664 1 O4'-C1'-N19 113.638 5.438 . 0.079 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.751 2 C4'-C3'-C2' 97.442 -5.258 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.442 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.739 0 C4'-C3'-C2' 99.568 -3.132 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . 0.442 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 2 P-O3'-C3' 125.434 4.778 . 0.833 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . 0.437 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O4'-C1'-N19 111.156 2.956 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 O4'-C1'-N19 111.642 3.442 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 O4'-C1'-N19 113.967 5.767 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C5'-C4'-C3' 109.958 -3.695 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 1 O4'-C1'-N19 112.338 4.138 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 1 O4'-C1'-N19 113.681 5.481 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . 0.519 " C2'" ' H41' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 C3'-C2'-C1' 105.194 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 C5'-C4'-C3' 108.913 -4.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . 0.519 ' H41' " C2'" ' B' ' 284' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.405 -4.02 0 C4'-C3'-O3' 117.961 2.831 OUTLIER-EPSILON 0.528 2[ . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 1 P-O3'-C3' 126.427 5.606 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.615 4.415 . 0.432 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 O4'-C1'-N19 112.072 3.872 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 O4'-C1'-N19 113.489 5.289 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C4'-C3'-C2' 100.231 -2.469 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.524 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.819 1 O4'-C1'-N19 113.504 5.304 . 0.733 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.038 0 C5'-C4'-O4' 113.228 2.877 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . 0.402 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 112.162 3.962 OUTLIER-DELTA 0.053 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.506 3.306 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 O4'-C1'-N19 112.295 4.095 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 O4'-C1'-N19 112.457 4.257 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 112.189 3.989 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.22 4.02 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.541 0 O5'-C5'-C4' 114.898 3.356 . 0.061 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 P-O3'-C3' 122.957 2.714 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.647 4.447 . 0.782 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . 0.437 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.621 3.421 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptm . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.951 0.405 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 59.14 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 108.761 -158.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.6 m 63.59 100.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.837 2.855 . . . . 0.0 112.731 170.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 84.57 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -164.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -64.47 96.41 0.16 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.754 1.222 . . . . 0.0 110.195 -168.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -101.1 -158.54 0.68 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.163 0.985 . . . . 0.0 108.436 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -161.95 133.28 5.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.578 1.951 . . . . 0.0 106.288 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.7 140.22 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 C-N-CA 123.502 0.721 . . . . 0.0 111.308 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.59 148.73 36.32 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.276 178.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.9 mmpt? -133.69 -2.97 2.96 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.369 1.467 . . . . 0.0 113.245 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.99 13.87 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 129.026 2.93 . . . . 0.0 115.138 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -45.04 30.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -166.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -14.03 -63.1 0.01 OUTLIER Glycine 0 N--CA 1.473 1.111 0 C-N-CA 129.696 3.522 . . . . 0.0 114.036 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' ' H41' ' B' ' 297' ' ' ' C' . 5.1 mttp -171.1 -11.53 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 128.289 2.635 . . . . 0.0 109.212 158.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.5 -38.98 52.3 Favored Glycine 0 C--N 1.344 0.988 0 C-N-CA 126.574 2.035 . . . . 0.0 114.062 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . . . -80.04 -48.06 13.9 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 123.551 0.74 . . . . 0.0 110.954 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 -27.86 66.81 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -74.79 -57.22 4.05 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 115.955 -1.974 . . . . 0.0 109.069 170.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 13.4 ptp180 -63.55 -42.75 98.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.774 2.079 . . . . 0.0 110.149 -164.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.05 -61.71 2.26 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.751 1.22 . . . . 0.0 110.01 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.4 -23.28 62.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.954 0.902 . . . . 0.0 112.402 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.46 -13.02 55.65 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.632 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.77 -85.12 0.45 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 164.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.75 5.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.263 1.825 . . . . 0.0 112.288 -174.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.54 174.85 6.64 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.381 1.872 . . . . 0.0 106.526 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.04 152.56 8.63 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -70.66 163.05 40.37 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.478 1.452 . . . . 0.0 113.048 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.51 179.41 6.57 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.281 1.432 . . . . 0.0 109.706 159.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -135.24 156.57 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.601 1.16 . . . . 0.0 110.214 169.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' ' 63' ' ' ILE . 75.7 mt -117.82 93.16 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.78 -179.75 0.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 110.413 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.02 86.35 0.18 Allowed Glycine 0 C--N 1.337 0.615 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 166.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.11 -12.42 16.01 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.587 1.089 . . . . 0.0 115.298 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -52.7 -44.07 66.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.267 2.627 . . . . 0.0 111.409 168.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.08 8.44 2.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.469 1.508 . . . . 0.0 113.992 -171.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB1' ' CD ' ' A' ' 37' ' ' PRO . . . 70.32 167.7 0.12 Allowed Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 127.156 2.182 . . . . 0.0 112.417 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 14.0 Cg_exo -79.41 -178.13 4.38 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.965 3.11 . . . . 0.0 115.429 -159.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tp -158.83 100.83 1.61 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 122.677 0.391 . . . . 0.0 110.152 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.07 137.83 40.43 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.432 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.12 131.93 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.592 1.557 . . . . 0.0 108.031 -174.078 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.98 126.92 31.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 127.868 2.467 . . . . 0.0 108.668 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.45 168.32 20.01 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 121.701 0.763 . . . . 0.0 112.363 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' H ' ' HZ1' ' A' ' 46' ' ' LYS . 18.8 t70 -77.01 137.35 38.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.984 1.314 . . . . 0.0 109.239 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.447 ' HD1' HD12 ' A' ' 86' ' ' LEU . 6.6 t60 -72.14 -54.35 10.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.939 176.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.24 -30.46 69.42 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.907 0.776 . . . . 0.0 112.115 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ1' ' H ' ' A' ' 43' ' ' ASP . 27.8 ttpt -59.84 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.944 2.098 . . . . 0.0 109.681 167.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.12 -27.4 9.65 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 tpp -50.66 -65.06 0.62 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.62 1.168 . . . . 0.0 109.222 167.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 -18.27 7.16 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mmt -84.51 -66.69 0.87 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 118.358 -0.83 . . . . 0.0 108.776 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.6 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.02 -8.38 3.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.007 1.276 . . . . 0.0 113.916 175.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -1.19 17.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.387 1.475 . . . . 0.0 111.847 174.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 158.28 34.63 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.95 1.25 . . . . 0.0 109.888 160.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.22 60.29 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -56.15 -21.03 20.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.957 1.703 . . . . 0.0 111.776 171.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.0 t80 -72.12 -49.6 34.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.172 -0.955 . . . . 0.0 112.471 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -85.65 -25.5 26.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.456 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -83.39 -30.34 27.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.106 1.362 . . . . 0.0 110.979 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 127.78 44.09 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -173.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.49 145.04 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.969 1.708 . . . . 0.0 112.903 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 56' ' ' PHE . 39.1 mt -110.88 157.62 19.64 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.91 1.684 . . . . 0.0 108.038 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.1 m -111.78 98.46 7.41 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 30' ' ' ILE . 5.3 mm -73.65 111.07 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 O-C-N 120.99 -1.069 . . . . 0.0 108.722 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.72 83.59 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -72.23 95.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 125.779 1.632 . . . . 0.0 108.532 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.28 25.97 8.02 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.424 1.09 . . . . 0.0 112.468 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 -4.77 27.97 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.907 1.242 . . . . 0.0 114.695 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -101.06 126.04 47.72 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.432 1.616 . . . . 0.0 108.325 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -103.1 108.59 19.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.983 0.513 . . . . 0.0 110.725 -159.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.618 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.0 128.76 69.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -170.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 mmtm -83.25 124.61 30.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.468 0.707 . . . . 0.0 111.166 172.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG13 HG22 ' A' ' 70' ' ' ILE . 19.6 m -151.47 162.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 C-N-CA 124.881 1.273 . . . . 0.0 112.85 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -135.65 128.58 31.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -63.19 127.47 31.41 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 124.504 1.128 . . . . 0.0 110.683 -177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 -16.22 10.56 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.256 0.973 . . . . 0.0 111.499 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -161.84 126.06 3.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 160.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.703 HG12 HG23 ' A' ' 89' ' ' ILE . 26.8 m -98.82 144.1 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 162.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.5 104.01 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -75.29 166.47 23.56 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.104 0.962 . . . . 0.0 110.362 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 162.26 51.13 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.651 0.78 . . . . 0.0 110.687 164.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.94 -24.8 2.57 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.486 2.791 . . . . 0.0 112.917 -171.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -147.71 10.22 0.93 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.702 1.201 . . . . 0.0 112.167 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -124.18 159.13 58.34 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 125.472 1.509 . . . . 0.0 108.425 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.76 9.05 2.07 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.715 2.943 . . . . 0.0 112.843 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -78.0 -177.77 5.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.49 1.116 . . . . 0.0 109.834 -175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 89' ' ' ILE . 11.9 mt -117.45 162.65 17.62 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.409 1.484 . . . . 0.0 108.309 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -123.18 -28.44 4.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.875 2.07 . . . . 0.0 111.014 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -178.37 162.11 1.46 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.528 1.531 . . . . 0.0 109.295 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 77' ' ' VAL . 72.3 mt -147.24 146.06 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.33 155.56 29.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.78 0.832 . . . . 0.0 108.818 167.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -131.34 154.35 48.67 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.804 1.642 . . . . 0.0 107.325 165.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.2 158.8 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 118.066 -0.968 . . . . 0.0 108.628 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -62.25 100.98 0.19 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.133 0.878 . . . . 0.0 109.9 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.456 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.449 166.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 1 O4'-C1'-N19 114.51 6.31 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C3'-C2'-C1' 103.846 2.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.704 2.504 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 O4'-C1'-N19 112.662 4.462 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 1 O4'-C1'-N19 114.802 6.602 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C5'-C4'-O4' 112.195 2.14 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.662 0 C5'-C4'-C3' 111.786 -2.476 . 0.591 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.489 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.464 2 O4'-C1'-N19 112.935 4.735 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 2 O4'-C1'-N19 112.741 4.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.727 0 N19-C1'-C2' 108.64 -2.975 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 113.358 5.158 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 111.625 3.425 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 O4'-C1'-N19 110.708 2.508 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 114.0 5.8 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C5'-C4'-C3' 110.239 -3.507 . 0.05 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 1 O4'-C1'-N19 112.458 4.258 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.728 4.528 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.449 4.249 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 O4'-C1'-N19 111.406 3.206 . 0.541 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 P-O3'-C3' 122.664 2.47 . 0.505 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.382 -2.363 2 O4'-C1'-N19 113.06 4.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 2 O4'-C1'-N19 114.559 6.359 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.819 3.619 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O4'-C1'-N19 113.191 4.991 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C5'-C4'-C3' 110.316 -3.456 . 0.12 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.406 ' H41' ' HB2' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.755 1 O4'-C1'-N19 112.914 4.714 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C5'-C4'-O4' 113.168 2.835 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.453 3.253 OUTLIER-DELTA 0.134 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.273 3.073 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.723 3.523 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.688 4.488 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 1 O4'-C1'-N19 113.256 5.056 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 P-O3'-C3' 122.029 1.94 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 P-O3'-C3' 123.295 2.996 . 0.164 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 100.329 -2.371 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.443 4.243 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 O4'-C1'-N19 111.705 3.505 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -46.62 -65.08 0.61 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.087 1.755 . . . . 0.0 111.457 -170.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 59.14 104.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.28 2.632 . . . . 0.0 114.619 170.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.58 84.78 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -169.672 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -63.41 100.79 0.27 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.011 0.925 . . . . 0.0 110.546 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.17 -160.12 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.03 139.0 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.1 m -63.29 134.98 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.71 -0.619 . . . . 0.0 110.841 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -129.59 148.34 51.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 174.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -128.44 -1.47 5.59 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.912 2.085 . . . . 0.0 112.49 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.96 14.29 0.3 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.158 2.583 . . . . 0.0 114.416 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -31.66 32.46 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.19 -14.58 1.34 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.459 1.981 . . . . 0.0 116.391 -172.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.625 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 166.28 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 130.755 3.622 . . . . 0.0 109.747 158.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.93 98.02 Favored Glycine 0 C--N 1.344 0.992 0 C-N-CA 124.496 1.046 . . . . 0.0 112.683 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . . . -64.03 -47.78 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.493 0.717 . . . . 0.0 111.447 173.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -55.92 -33.9 65.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.597 0.237 . . . . 0.0 111.462 -172.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -34.58 14.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 116.632 -1.652 . . . . 0.0 112.379 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 7.5 ptt180 -71.54 -41.07 69.6 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.047 1.749 . . . . 0.0 110.907 177.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.75 -59.64 5.06 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.354 1.062 . . . . 0.0 109.573 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -57.76 -25.79 60.97 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.126 0.891 . . . . 0.0 111.433 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 -11.72 60.02 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.97 19.06 7.13 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.22 1.808 . . . . 0.0 112.577 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 66.47 7.71 5.23 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -84.19 177.59 8.15 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 159.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.78 154.77 9.09 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -70.33 159.94 51.26 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 121.483 1.455 . . . . 0.0 113.479 -172.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 174.51 11.1 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.329 1.452 . . . . 0.0 109.596 160.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -130.76 156.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 125.348 1.459 . . . . 0.0 109.771 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -126.86 94.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' HG12 ' A' ' 92' ' ' VAL 0.284 6.8 p90 -106.31 -174.88 2.64 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 -13.08 0.14 Allowed Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.123 -0.82 . . . . 0.0 114.062 -168.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.03 -55.21 3.1 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.181 1.848 . . . . 0.0 114.273 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HE3' H5'' ' B' ' 305' ' ' ' G' . 75.2 mttt -61.02 -23.08 65.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.8 2.84 . . . . 0.0 113.056 -161.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -134.47 8.6 3.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.63 1.572 . . . . 0.0 112.613 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.01 162.04 0.12 Allowed Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.796 1.638 . . . . 0.0 111.247 -161.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.571 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 1.3 Cg_endo -96.41 -168.03 0.12 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.824 3.016 . . . . 0.0 111.808 -168.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -157.29 98.8 1.74 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 109.521 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.94 132.96 46.0 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.495 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.87 129.14 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.128 1.371 . . . . 0.0 108.621 -174.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -81.93 116.2 21.46 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 130.513 3.525 . . . . 0.0 109.58 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.02 167.01 21.4 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.076 0.55 . . . . 0.0 111.833 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.09 134.26 42.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -54.11 10.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.918 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -23.61 65.67 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.871 0.759 . . . . 0.0 111.886 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -58.9 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.895 1.678 . . . . 0.0 109.274 161.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -50.28 -26.64 3.55 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -49.8 -63.52 1.09 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 124.809 1.243 . . . . 0.0 109.595 168.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -55.65 -24.4 33.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.3 mmt -82.36 -65.57 0.99 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -174.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.4 -17.72 3.38 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.871 2.069 . . . . 0.0 113.162 172.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.27 -3.03 21.25 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 112.862 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 157.58 35.35 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.472 1.487 . . . . 0.0 109.97 163.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.58 61.03 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.14 -23.1 32.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 41.7 t80 -76.09 -43.84 41.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.168 -0.957 . . . . 0.0 112.915 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -86.39 -29.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.117 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.7 t -79.25 -28.21 42.4 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.393 1.077 . . . . 0.0 110.906 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 144.11 51.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -174.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.85 149.18 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.434 1.094 . . . . 0.0 112.777 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 56' ' ' PHE . 24.2 mt -115.3 160.64 19.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.553 1.941 . . . . 0.0 108.44 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -117.64 95.69 5.05 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.943 0.792 . . . . 0.0 108.997 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mt -83.16 108.28 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 O-C-N 120.787 -1.196 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -92.55 83.16 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -171.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 HD13 ' A' ' 70' ' ' ILE . 5.0 m -74.53 94.53 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 C-N-CA 126.269 1.828 . . . . 0.0 107.44 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 57.71 27.29 14.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 0.0 112.295 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.71 31.42 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.686 -1.064 . . . . 0.0 114.201 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -97.42 120.66 38.19 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.177 1.488 . . . . 0.0 108.927 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -90.57 112.92 24.8 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.718 0.807 . . . . 0.0 111.093 -167.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.502 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.45 123.98 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.9 mmtm -83.15 122.11 27.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.418 0.687 . . . . 0.0 110.37 176.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 70' ' ' ILE . 27.3 m -149.54 155.61 8.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 C-N-CA 125.255 1.422 . . . . 0.0 112.278 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -126.46 131.73 51.6 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -64.27 137.6 58.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.05 0.843 . . . . 0.0 111.064 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -127.47 -34.64 2.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.243 1.417 . . . . 0.0 110.482 -165.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -154.11 107.41 2.91 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.282 1.433 . . . . 0.0 107.146 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.682 HG12 HG23 ' A' ' 89' ' ' ILE . 22.5 m -85.74 148.96 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 165.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -126.99 107.52 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -167.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -84.27 166.56 17.39 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.39 1.076 . . . . 0.0 111.898 -170.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 162.94 40.68 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.562 0.745 . . . . 0.0 111.101 164.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.36 -33.58 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.904 2.402 . . . . 0.0 112.839 -171.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.75 -12.25 1.75 Allowed 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.25 1.02 . . . . 0.0 113.122 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.57 160.14 27.09 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.412 . . . . 0.0 108.908 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.59 9.15 1.64 Allowed 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.592 2.861 . . . . 0.0 113.505 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -79.86 -169.69 2.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.134 2.174 . . . . 0.0 111.509 -171.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 89' ' ' ILE . 11.1 mt -125.46 158.04 35.43 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.839 2.055 . . . . 0.0 108.82 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -122.81 -23.76 4.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.88 1.672 . . . . 0.0 111.333 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -174.05 161.6 3.66 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 125.04 1.336 . . . . 0.0 109.742 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.682 HG23 HG12 ' A' ' 77' ' ' VAL . 78.1 mt -146.28 144.88 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -115.85 125.74 53.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -112.07 160.98 16.99 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 161.602 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 31' ' ' TYR . 17.1 m -122.01 151.52 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.503 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -53.52 93.25 0.01 OUTLIER 'General case' 0 C--N 1.343 0.325 0 C-N-CA 126.6 1.96 . . . . 0.0 110.766 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.929 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 C5'-C4'-C3' 111.168 -2.888 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 P-O3'-C3' 123.124 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.577 3.377 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 1 O4'-C1'-N19 113.162 4.962 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 O4'-C1'-N19 114.77 6.57 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.711 2.511 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 1 P-O3'-C3' 124.743 4.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.571 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.533 1 O4'-C1'-N19 113.915 5.715 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 2 C4'-C3'-C2' 97.292 -5.408 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.723 0 N19-C1'-C2' 109.254 -2.591 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 113.08 4.88 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 111.375 3.175 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.302 3.102 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 1 O4'-C1'-N19 113.846 5.646 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 C5'-C4'-C3' 109.853 -3.765 . 0.018 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.828 3.628 . 0.037 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 O4'-C1'-N19 113.27 5.07 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.682 3.482 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 P-O3'-C3' 122.533 2.361 . 0.663 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 109.806 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 N19-C1'-C2' 119.822 4.013 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.373 1 O4'-C1'-N19 113.803 5.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 112.481 4.281 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 2 O4'-C1'-N19 113.652 5.452 . 0.125 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O5'-C5'-C4' 114.702 3.215 OUTLIER-DELTA 0.029 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.625 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 O4'-C1'-N19 113.056 4.856 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.916 0 C5'-C4'-O4' 113.106 2.79 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C5'-C4'-C3' 110.312 -3.459 . 0.197 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 O4'-C1'-N19 111.45 3.25 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 O4'-C1'-N19 112.112 3.912 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 113.025 4.825 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.852 4.652 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.965 1 C4'-C3'-C2' 98.566 -4.134 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . 0.643 H5'' ' HE3' ' A' ' 34' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 111.339 3.139 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 110.926 2.726 . 0.358 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.446 4.246 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.974 3.774 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptm . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.774 -0.155 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -62.29 -55.21 30.48 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.214 1.006 . . . . 0.0 112.403 -165.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m 62.56 114.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.097 2.559 . . . . 0.0 113.399 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.39 81.4 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.166 0.986 . . . . 0.0 108.365 -168.261 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.68 119.18 7.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -124.33 -161.86 1.03 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.041 1.337 . . . . 0.0 107.799 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.56 142.74 20.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 165.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 m -63.62 141.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.203 0.525 . . . . 0.0 110.799 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -137.72 155.69 48.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.509 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.1 mmpt? -134.57 -0.51 2.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.163 1.385 . . . . 0.0 112.872 168.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 11.57 0.61 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.066 2.146 . . . . 0.0 114.248 -176.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -38.29 9.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.892 2.077 . . . . 0.0 115.923 -166.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 7.65 0.01 OUTLIER Glycine 0 CA--C 1.545 1.938 0 C-N-CA 130.066 3.698 . . . . 0.0 120.143 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.676 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 6.0 mmtp 131.49 -27.48 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 1 C-N-CA 136.863 6.065 . . . . 0.0 109.477 174.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.76 -54.74 26.63 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.063 1.316 . . . . 0.0 112.176 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.58 64.04 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -64.18 -22.0 66.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -167.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -38.23 17.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 116.637 -1.649 . . . . 0.0 111.269 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -69.89 -34.89 74.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.034 1.743 . . . . 0.0 110.691 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -55.72 10.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.863 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -26.36 66.96 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.974 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.52 60.23 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.54 15.11 8.84 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.718 1.607 . . . . 0.0 112.826 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 65.93 9.28 5.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.77 0.828 . . . . 0.0 113.222 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -81.78 175.96 10.0 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.035 1.334 . . . . 0.0 108.443 165.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE1' HG11 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -159.94 153.84 19.53 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -77.12 160.75 33.0 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.679 1.586 . . . . 0.0 113.245 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.48 -178.35 5.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.479 1.111 . . . . 0.0 111.037 165.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -141.48 158.59 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.479 1.111 . . . . 0.0 110.224 175.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.625 HD11 HG13 ' A' ' 63' ' ' ILE . 55.2 mt -130.0 93.44 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.966 1.706 . . . . 0.0 106.51 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.21 -169.02 1.58 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -166.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.46 8.99 87.0 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 124.693 1.14 . . . . 0.0 113.68 -172.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.94 -36.24 42.17 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-O 119.597 -0.557 . . . . 0.0 114.33 -162.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 tttp 72.87 -16.05 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.6 2.36 . . . . 0.0 112.758 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.12 -23.72 38.16 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.067 2.147 . . . . 0.0 109.811 161.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 107.53 158.71 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.828 1 C-N-CA 133.802 4.841 . . . . 0.0 110.093 -177.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.752 ' HB2' HD11 ' A' ' 29' ' ' ILE . 83.5 Cg_exo -76.16 -166.41 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.664 3.576 . . . . 0.0 117.336 -165.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -150.3 102.91 3.11 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.257 1.023 . . . . 0.0 109.764 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.25 136.04 46.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.019 0.528 . . . . 0.0 109.957 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.02 141.07 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.153 1.381 . . . . 0.0 107.497 179.282 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -89.21 117.83 28.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.744 2.418 . . . . 0.0 108.548 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.84 168.34 19.24 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.35 0.595 . . . . 0.0 111.211 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.2 132.57 41.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.357 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -66.68 -49.43 66.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.406 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.48 -27.43 63.23 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.853 0.752 . . . . 0.0 111.759 -170.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 50' ' ' MET . 23.1 ttmm -57.56 -77.71 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 CA-C-O 117.544 -1.217 . . . . 0.0 108.001 161.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' CE1' ' A' ' 26' ' ' PHE . 3.3 p -56.4 -26.06 21.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 CA-C-N 119.804 1.184 . . . . 0.0 113.39 -167.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.45 ' HA ' HD11 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -46.91 -64.26 0.82 Allowed 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 126.173 1.789 . . . . 0.0 109.34 167.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.83 -19.19 49.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -86.19 -68.72 0.72 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -61.6 -8.4 4.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 178.383 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -58.02 -22.62 50.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.952 1.301 . . . . 0.0 112.442 173.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HE2' ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -127.38 152.82 46.99 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 118.71 0.686 . . . . 0.0 112.435 -168.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.13 74.99 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 -166.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.0 -38.37 85.88 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.815 1.246 . . . . 0.0 110.007 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 8.6 t80 -56.89 -46.03 82.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 120.521 1.51 . . . . 0.0 111.127 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.09 59.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.83 -176.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.3 t -85.04 -16.17 41.6 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.107 0.963 . . . . 0.0 111.552 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.21 172.22 8.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.319 1.448 . . . . 0.0 107.361 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.56 151.37 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 123.43 0.692 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.7 mt -118.72 157.47 27.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.48 1.912 . . . . 0.0 108.067 174.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -112.02 106.73 15.46 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.625 HG13 HD11 ' A' ' 30' ' ' ILE . 5.5 mm -85.07 104.74 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 125.081 1.352 . . . . 0.0 107.965 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.42 82.71 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 9.7 m -74.33 100.3 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 56.34 30.22 16.46 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.239 0.472 . . . . 0.0 111.863 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.42 -2.22 57.48 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 118.712 -1.049 . . . . 0.0 114.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 10.4 mtmt -102.84 124.44 48.37 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.064 1.432 . . . . 0.0 108.551 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -100.76 107.43 19.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.7 0.8 . . . . 0.0 110.854 -159.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.45 127.5 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -169.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -86.9 126.68 34.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.679 -0.638 . . . . 0.0 110.73 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG13 HG22 ' A' ' 70' ' ' ILE . 27.1 m -152.1 161.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.848 1.259 . . . . 0.0 113.169 177.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -131.61 136.03 47.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.91 0.884 . . . . 0.0 109.404 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.84 143.76 41.23 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.456 0.702 . . . . 0.0 112.149 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -135.61 -29.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.967 0.792 . . . . 0.0 111.527 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -158.39 100.32 1.65 Allowed 'General case' 0 C--N 1.341 0.226 0 C-N-CA 127.234 2.213 . . . . 0.0 105.986 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.798 HG12 HG23 ' A' ' 89' ' ' ILE . 21.3 m -93.85 136.15 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 161.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -98.17 139.09 34.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -126.91 146.52 50.28 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 109.631 -168.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 164.16 58.66 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 123.111 0.564 . . . . 0.0 110.622 -173.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.34 -5.47 11.04 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.918 2.412 . . . . 0.0 113.72 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -135.95 -61.66 0.7 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.055 0.843 . . . . 0.0 110.036 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -80.68 168.19 27.13 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.317 1.847 . . . . 0.0 109.445 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.59 0.48 9.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.176 1.917 . . . . 0.0 114.167 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.76 158.36 3.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.424 1.489 . . . . 0.0 114.023 -163.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 89' ' ' ILE . 9.2 mt -115.74 106.57 14.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.328 1.051 . . . . 0.0 109.366 -158.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -69.06 -27.53 65.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.35 173.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 178.44 158.14 0.49 Allowed 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.046 1.738 . . . . 0.0 109.343 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.798 HG23 HG12 ' A' ' 77' ' ' VAL . 90.1 mt -145.45 148.64 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 C-N-CA 125.932 1.693 . . . . 0.0 106.455 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -126.39 162.79 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.605 0.762 . . . . 0.0 109.114 168.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.01 151.97 51.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.9 m -104.69 147.57 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -56.57 91.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.22 2.208 . . . . 0.0 110.993 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.132 0 C-N-CA 124.166 0.986 . . . . 0.0 111.762 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C5'-C4'-C3' 111.585 -2.61 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 O4'-C1'-N19 110.214 2.014 . 0.372 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 O4'-C1'-N19 112.656 4.456 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 O4'-C1'-N19 114.571 6.371 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 C5'-C4'-O4' 112.688 2.491 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 110.823 2.623 . 0.617 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.438 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 O4'-C1'-N19 113.428 5.228 . 0.203 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 2 C4'-C3'-C2' 98.116 -4.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 1 N19-C1'-C2' 106.834 -4.104 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 2 O4'-C1'-N19 113.887 5.687 . 0.091 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O4'-C1'-N19 111.71 3.51 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 O4'-C1'-N19 111.926 3.726 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 O4'-C1'-N19 114.705 6.505 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 109.59 -3.94 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 O4'-C1'-N19 111.972 3.772 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 113.331 5.131 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.814 4.614 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.847 0 C3'-C2'-C1' 104.658 3.509 . 0.013 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 P-O3'-C3' 126.697 5.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.477 1 N19-C1'-C2' 121.554 5.096 . 0.024 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 O4'-C1'-N19 112.603 4.403 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 112.072 3.872 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 1 O4'-C1'-N19 114.512 6.312 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O5'-C5'-C4' 114.605 3.146 . 0.046 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.676 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 P--O5' 1.625 3.2 1 O4'-C1'-N19 112.547 4.347 . 0.421 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-O4' 113.846 3.319 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 O3'-P-O5' 98.223 -3.04 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 O4'-C1'-N19 112.13 3.93 . 0.11 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.884 3.684 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 O4'-C1'-N19 113.178 4.978 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.514 4.314 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 C4'-C3'-C2' 98.373 -4.327 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.465 3.265 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 111.405 3.205 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O4'-C1'-N19 112.075 3.875 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 111.344 3.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.057 -0.497 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.59 -75.89 0.07 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.585 1.154 . . . . 0.0 109.802 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m 64.01 108.03 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 113.782 173.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.93 84.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 123.721 0.808 . . . . 0.0 109.239 -168.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.44 114.89 3.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -128.41 -166.26 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.768 2.027 . . . . 0.0 108.976 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -152.81 108.43 3.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.329 1.052 . . . . 0.0 109.971 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 65' ' ' VAL . 18.3 m -49.54 118.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 118.247 0.476 . . . . 0.0 110.735 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -130.72 145.35 51.92 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.381 -174.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.1 mmpt? -126.49 -5.07 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.63 13.54 0.07 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.684 2.794 . . . . 0.0 115.249 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -34.7 16.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -172.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.71 -10.91 0.27 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 127.18 2.324 . . . . 0.0 116.601 -175.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 149.06 -19.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 1 C-N-CA 133.266 4.626 . . . . 0.0 110.868 159.393 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.76 -34.52 61.07 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 118.906 0.775 . . . . 0.0 112.87 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.08 -47.91 12.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.383 1.073 . . . . 0.0 110.861 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -57.52 -30.43 65.16 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.708 -0.62 . . . . 0.0 111.301 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -45.77 13.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.64 1.976 . . . . 0.0 111.038 176.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 121.811 2.096 . . . . 0.0 110.566 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.38 -61.88 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.395 1.078 . . . . 0.0 110.187 177.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -64.18 -19.69 65.49 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.431 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.37 -14.97 60.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.54 -88.59 0.34 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 169.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.77 7.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.863 2.465 . . . . 0.0 111.394 171.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -78.56 175.56 10.25 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 108.313 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.58 153.83 16.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -73.81 162.11 40.13 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.715 1.61 . . . . 0.0 113.55 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.83 177.86 8.05 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.306 1.042 . . . . 0.0 110.323 159.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -136.17 152.86 30.74 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 125.86 1.664 . . . . 0.0 109.802 171.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.501 HG23 HG11 ' A' ' 72' ' ' VAL . 31.6 mt -125.4 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.25 3.1 p90 -98.5 -177.26 3.63 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -177.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.97 -1.86 0.03 OUTLIER Glycine 0 C--N 1.34 0.792 0 CA-C-O 117.983 -1.454 . . . . 0.0 116.474 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 31.22 62.97 0.22 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 127.005 2.241 . . . . 0.0 114.351 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.36 -48.95 0.99 Allowed 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.049 1.34 . . . . 0.0 112.176 -174.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -131.12 -63.38 0.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -169.75 163.38 6.77 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.401 1.88 . . . . 0.0 110.071 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 29' ' ' ILE . 93.8 Cg_exo -70.64 -169.34 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.617 3.545 . . . . 0.0 115.831 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 8' ' ' VAL . 12.7 tp -149.76 107.03 3.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.101 0.96 . . . . 0.0 109.26 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.52 133.19 47.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.084 0.553 . . . . 0.0 109.712 167.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.82 145.44 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 125.223 1.409 . . . . 0.0 107.591 178.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -104.74 106.69 17.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.911 1.684 . . . . 0.0 107.617 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.26 165.8 16.33 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-O 121.967 0.889 . . . . 0.0 111.875 -172.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 125.2 28.92 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.297 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -62.91 -52.51 62.78 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.638 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.03 -32.3 72.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.832 0.742 . . . . 0.0 111.961 -173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -60.98 -75.05 0.07 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.793 -1.099 . . . . 0.0 108.626 167.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.33 -25.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-N 119.626 1.103 . . . . 0.0 113.862 -170.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -62.23 1.72 Allowed 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 125.908 1.683 . . . . 0.0 108.632 170.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.67 -22.88 48.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.45 -67.37 0.79 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -53.47 -18.83 3.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.506 2.323 . . . . 0.0 112.692 173.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 -1.18 9.42 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 125.715 1.606 . . . . 0.0 112.524 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 161.77 22.84 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.241 1.382 . . . . 0.0 110.603 160.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.06 -20.59 52.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.91 -21.17 57.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.68 1.592 . . . . 0.0 110.918 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 61.1 t80 -70.87 -53.03 16.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.261 -0.899 . . . . 0.0 111.946 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -80.69 -30.69 36.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.004 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -74.94 -39.81 61.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.101 0.96 . . . . 0.0 110.225 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 130.94 53.43 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -167.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.88 148.78 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.834 1.253 . . . . 0.0 113.277 -167.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 4' ' ' ILE . 34.8 mt -112.87 151.43 30.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.081 1.353 . . . . 0.0 107.879 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -107.49 86.67 2.34 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.632 HG22 HG13 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -65.15 113.25 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.743 -1.223 . . . . 0.0 109.14 172.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.0 t -97.78 90.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 124.786 1.235 . . . . 0.0 108.625 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.706 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.4 m -84.42 103.83 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 109.537 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 52.66 29.78 7.82 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.09 0.471 . . . . 0.0 111.078 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.98 -0.06 58.91 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 118.63 -1.095 . . . . 0.0 114.676 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -99.41 126.76 45.36 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.316 1.558 . . . . 0.0 107.705 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -104.74 108.15 19.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.283 0.492 . . . . 0.0 110.668 -159.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 65' ' ' VAL . 1.9 mp -111.08 125.77 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 108.714 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -87.86 120.09 28.85 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.518 0.727 . . . . 0.0 110.271 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.539 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.0 m -148.51 159.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 113.191 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -131.76 133.33 44.66 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.142 0.977 . . . . 0.0 109.4 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.61 134.53 51.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.296 0.998 . . . . 0.0 111.63 -171.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 -46.17 4.76 Favored 'General case' 0 CA--C 1.527 0.061 0 C-N-CA 125.182 1.393 . . . . 0.0 110.443 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.03 118.11 4.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.732 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -95.48 131.76 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 165.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -99.84 105.63 17.4 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.526 1.93 . . . . 0.0 105.884 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.0 163.85 27.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.273 1.029 . . . . 0.0 109.959 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.69 160.28 80.42 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.185 0.594 . . . . 0.0 110.508 165.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -84.86 -26.03 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.834 3.022 . . . . 0.0 113.289 -172.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -141.85 2.3 1.55 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.626 1.571 . . . . 0.0 112.306 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.18 155.43 67.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 C-N-CA 124.724 1.21 . . . . 0.0 109.15 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -78.77 62.88 8.5 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.739 2.959 . . . . 0.0 108.964 166.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -132.05 -177.81 4.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.632 1.173 . . . . 0.0 109.056 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 89' ' ' ILE . 19.5 mt -122.32 156.3 34.17 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 126.278 1.831 . . . . 0.0 108.78 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -117.48 -30.21 5.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.103 1.761 . . . . 0.0 110.808 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -178.69 162.14 1.34 Allowed 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.64 1.576 . . . . 0.0 109.803 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.732 HG23 HG12 ' A' ' 77' ' ' VAL . 72.2 mt -144.75 144.54 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -116.28 132.06 56.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.092 2.157 . . . . 0.0 106.61 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.4 157.05 31.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.33 153.61 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -57.58 98.74 0.03 OUTLIER 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.171 0.989 . . . . 0.0 110.943 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.439 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.528 -0.748 . . . . 0.0 111.226 161.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 111.037 2.837 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.091 -3.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 O4'-C1'-N19 111.541 3.341 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 1 O4'-C1'-N19 113.538 5.338 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 O4'-C1'-N19 115.086 6.886 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 110.808 2.608 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 1 P-O3'-C3' 124.771 4.225 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.501 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.421 1 O4'-C1'-N19 113.825 5.625 . 0.454 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 1 C4'-C3'-C2' 97.827 -4.873 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.672 0 N19-C1'-C2' 108.796 -2.877 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 O4'-C1'-N19 112.995 4.795 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 O4'-C1'-N19 111.439 3.239 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 111.892 3.692 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 1 O4'-C1'-N19 114.318 6.118 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 0 C5'-C4'-C3' 110.14 -3.574 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 O4'-C1'-N19 112.05 3.85 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.76 4.56 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 O4'-C1'-N19 112.732 4.532 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 0 O4'-C1'-N19 112.171 3.971 . 0.464 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 0 O4'-C1'-N19 111.596 3.396 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 2 P-O3'-C3' 127.47 6.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 114.342 6.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 O4'-C1'-N19 111.573 3.373 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 113.752 5.552 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C5'-C4'-C3' 111.711 -2.526 . 0.049 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 1 O4'-C1'-N19 112.878 4.678 . 0.431 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-O4' 113.317 2.941 . 0.37 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C5'-C4'-C3' 110.011 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 111.156 2.956 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 O4'-C1'-N19 112.667 4.467 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 1 O4'-C1'-N19 112.631 4.431 . 0.326 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 1 O4'-C1'-N19 112.442 4.242 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C4'-C3'-C2' 98.778 -3.922 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.242 4.042 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 O4'-C1'-N19 111.158 2.958 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . 0.484 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.438 1 O4'-C1'-N19 114.311 6.111 OUTLIER-EPSILON 0.439 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . 0.484 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.353 1 P-O3'-C3' 127.673 6.644 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 75.34 -31.37 0.2 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 127.541 2.336 . . . . 0.0 114.384 167.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 64.8 109.8 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.664 2.785 . . . . 0.0 113.033 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.94 81.56 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.138 0.975 . . . . 0.0 108.517 -168.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.457 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.6 m120 -60.17 117.41 5.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.985 -174.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.77 -161.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 107.88 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -157.13 140.02 15.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.55 142.01 17.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-O 121.277 0.561 . . . . 0.0 110.894 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -136.2 157.7 46.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.597 173.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.0 mmpt? -135.11 -0.34 2.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.735 1.214 . . . . 0.0 112.831 169.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.13 14.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.072 1.749 . . . . 0.0 113.517 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -34.0 9.68 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.793 2.037 . . . . 0.0 115.149 -172.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.5 -25.16 0.27 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 127.484 2.469 . . . . 0.0 116.226 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.668 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 5.7 mmtp 167.36 -26.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 130.659 3.583 . . . . 0.0 109.225 158.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.46 66.56 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.21 1.386 . . . . 0.0 112.925 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.23 39.97 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -58.43 -27.89 64.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.39 -0.819 . . . . 0.0 111.619 -172.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.21 23.77 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 116.752 -1.594 . . . . 0.0 113.456 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.97 -38.84 31.37 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.414 1.916 . . . . 0.0 110.164 173.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -54.14 44.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.051 0.94 . . . . 0.0 108.609 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -17.48 64.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 118.134 -0.936 . . . . 0.0 113.401 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.72 62.22 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-O 117.803 -1.094 . . . . 0.0 113.419 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.14 -85.78 0.5 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.695 1.134 . . . . 0.0 108.364 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.99 8.25 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 112.295 -170.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -100.1 174.84 5.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.756 1.222 . . . . 0.0 108.366 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.8 p90 -158.32 153.31 21.39 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -74.04 156.25 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.8 1.667 . . . . 0.0 112.557 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.03 178.09 7.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.058 0.943 . . . . 0.0 110.264 162.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -135.69 154.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 125.29 1.436 . . . . 0.0 109.853 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 63' ' ' ILE . 43.0 mt -126.17 97.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -173.37 2.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.32 31.77 45.42 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.927 167.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.04 -101.56 0.74 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 tptt 170.22 -28.91 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.612 2.765 . . . . 0.0 109.18 -166.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.67 35.63 4.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.292 2.237 . . . . 0.0 109.294 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . 75.42 167.18 0.12 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 127.399 2.279 . . . . 0.0 112.543 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 2.6 Cg_endo -95.33 -167.8 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 125.014 3.809 . . . . 0.0 112.127 -169.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -152.56 99.85 2.5 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.233 0.613 . . . . 0.0 110.671 -169.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.69 133.36 46.56 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.26 138.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -86.44 117.93 25.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.366 2.267 . . . . 0.0 108.831 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.53 168.38 19.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 111.648 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.3 133.28 38.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.286 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.79 -53.71 36.67 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.174 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.71 -26.35 65.23 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.544 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.1 ttmm -58.52 -76.21 0.04 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 162.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.456 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -57.26 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -63.89 0.97 Allowed 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 126.019 1.727 . . . . 0.0 108.641 168.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -56.61 -20.74 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 3.4 mmt -84.47 -67.96 0.76 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -175.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -57.15 -13.99 3.59 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.375 1.443 . . . . 0.0 113.778 176.47 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.97 -8.33 52.43 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.208 -2.33 . . . . 0.0 115.174 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER -115.98 11.27 15.36 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 122.643 2.474 . . . . 0.0 117.546 -174.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.93 -38.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 130.409 3.484 . . . . 0.0 115.062 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -52.56 -14.34 0.49 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 128.742 2.817 . . . . 0.0 112.176 163.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 51' ' ' GLN . 73.2 t80 -69.95 -51.63 31.11 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 120.77 -1.206 . . . . 0.0 111.836 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -78.5 -29.2 46.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.087 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 t -80.0 -41.58 25.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.431 1.092 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.42 114.28 21.57 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -168.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.01 143.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.279 2.232 . . . . 0.0 113.419 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 56' ' ' PHE . 10.0 mt -109.76 160.59 16.2 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.3 1.04 . . . . 0.0 109.057 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.3 13.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 30' ' ' ILE . 4.3 mm -89.98 106.46 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.12 1.368 . . . . 0.0 107.676 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.1 t -94.31 79.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -171.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.76 95.68 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.139 1.376 . . . . 0.0 108.361 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 55.76 26.55 9.62 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.07 0.948 . . . . 0.0 112.508 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 -7.35 30.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.75 1.167 . . . . 0.0 114.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -96.72 121.06 38.15 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 119.223 1.512 . . . . 0.0 108.218 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.67 109.17 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.531 1.132 . . . . 0.0 111.179 -164.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 128.87 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -169.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.4 mmtm -84.97 123.36 30.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.661 0.784 . . . . 0.0 110.944 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 70' ' ' ILE . 32.3 m -149.94 160.63 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 124.363 1.04 . . . . 0.0 113.771 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -137.22 136.41 38.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.876 1.27 . . . . 0.0 109.532 -178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 152.36 15.55 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.54 -43.94 0.83 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.105 1.362 . . . . 0.0 111.099 171.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -141.15 88.55 2.17 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -85.39 139.52 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 160.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -121.73 117.98 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 127.023 2.129 . . . . 0.0 106.406 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -86.3 164.76 16.92 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.719 0.807 . . . . 0.0 110.459 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 161.01 55.63 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 123.894 0.878 . . . . 0.0 110.508 169.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -84.17 -6.62 10.23 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.392 2.728 . . . . 0.0 113.627 -171.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -144.28 -57.16 0.37 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.598 1.09 . . . . 0.0 110.735 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -74.32 155.56 87.8 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.274 1.43 . . . . 0.0 109.85 170.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 19.34 0.77 Allowed 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.044 3.162 . . . . 0.0 113.602 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -77.05 -164.26 0.43 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.853 1.661 . . . . 0.0 110.6 -175.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.516 HD13 HD11 ' A' ' 89' ' ' ILE . 11.2 mt -126.81 160.14 31.77 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.592 1.157 . . . . 0.0 110.598 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -126.7 -28.44 2.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 111.615 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -170.55 157.77 6.01 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 77' ' ' VAL . 65.9 mt -145.36 146.08 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.691 1.196 . . . . 0.0 109.077 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.04 129.32 47.8 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.887 2.075 . . . . 0.0 106.484 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.06 149.25 41.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 170.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.49 153.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -61.88 91.48 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.327 1.451 . . . . 0.0 110.971 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.592 171.639 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O5'-C5'-C4' 113.581 2.415 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C5'-C4'-C3' 112.429 -2.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 110.786 2.586 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 1 O4'-C1'-N19 113.563 5.363 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 114.736 6.536 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 110.439 2.239 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 P-O3'-C3' 124.287 3.823 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.483 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.394 1 O4'-C1'-N19 113.8 5.6 . 0.226 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 1 C4'-C3'-C2' 98.117 -4.583 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 N19-C1'-C2' 108.048 -3.345 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 2 P-O3'-C3' 124.59 4.075 . 0.314 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . 0.451 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 O4'-C1'-N19 111.127 2.927 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.451 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 111.967 3.767 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 114.855 6.655 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 P-O3'-C3' 123.766 3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 112.166 3.966 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 1 O4'-C1'-N19 113.836 5.636 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 O4'-C1'-N19 112.799 4.599 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.804 1 C3'-C2'-C1' 105.115 4.016 . 0.01 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 P-O3'-C3' 127.318 6.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 98.801 -3.899 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 113.223 5.023 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 100.045 -2.655 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 1 O4'-C1'-N19 115.539 7.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.087 0 O5'-C5'-C4' 114.168 2.834 . 0.073 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.668 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 112.859 4.659 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-O4' 113.26 2.9 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . 0.421 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.656 3.456 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 1 O4'-C1'-N19 112.234 4.034 . 0.554 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 O4'-C1'-N19 111.707 3.507 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 1 O4'-C1'-N19 113.115 4.915 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 1 O4'-C1'-N19 112.528 4.328 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 C4'-C3'-C2' 97.861 -4.839 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.096 1 O4'-C1'-N19 112.416 4.216 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 111.609 -2.594 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 O4'-C1'-N19 111.795 3.595 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 O4'-C1'-N19 111.116 2.916 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -56.04 -66.46 0.43 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.653 1.581 . . . . 0.0 111.022 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m 57.49 101.27 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.445 2.298 . . . . 0.0 114.037 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.42 85.21 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -167.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -59.68 113.79 2.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.55 -161.96 0.85 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.387 1.475 . . . . 0.0 108.127 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.43 137.64 12.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.051 2.14 . . . . 0.0 105.415 170.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.87 143.95 15.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 121.798 -0.564 . . . . 0.0 111.051 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.48 150.21 35.16 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.262 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.5 mmpt? -127.19 2.59 6.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.248 1.819 . . . . 0.0 112.196 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.535 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 47.3 mt-10 -68.05 7.29 0.57 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.204 2.602 . . . . 0.0 115.588 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -29.84 17.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -162.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.75 43.98 0.01 OUTLIER Glycine 0 CA--C 1.545 1.928 0 C-N-CA 129.726 3.536 . . . . 0.0 117.942 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER 74.82 -19.46 0.38 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 130.674 3.59 . . . . 0.0 111.847 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.08 -68.31 1.75 Allowed Glycine 0 C--N 1.343 0.972 0 C-N-CA 126.357 1.932 . . . . 0.0 111.267 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . . . -56.3 -26.33 51.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.949 1.374 . . . . 0.0 112.332 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -69.92 -35.02 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.779 -0.575 . . . . 0.0 110.218 -171.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.48 -17.85 23.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.94 1.696 . . . . 0.0 112.076 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 mtt85 -78.47 -46.37 19.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.01 1.277 . . . . 0.0 109.984 174.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.25 -51.98 46.51 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.84 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -21.59 66.02 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.993 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -16.51 61.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.36 15.3 13.0 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.343 1.457 . . . . 0.0 112.597 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 66.62 7.93 5.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.953 0.901 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 41' ' ' GLU . 14.0 mtmm -84.6 179.14 7.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.106 1.362 . . . . 0.0 107.377 165.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.3 p90 -163.74 154.54 13.73 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -74.09 156.58 47.13 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.481 1.454 . . . . 0.0 111.809 -172.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.36 177.5 8.06 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.648 0.779 . . . . 0.0 110.01 162.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.3 tp -133.62 154.75 39.22 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 124.688 1.195 . . . . 0.0 109.384 172.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 63' ' ' ILE . 44.5 mt -123.73 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.84 -172.91 2.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -168.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.08 79.76 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-O 120.135 -0.259 . . . . 0.0 113.565 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' H ' ' A' ' 35' ' ' GLU . . . -67.81 -20.46 72.38 Favored Glycine 0 CA--C 1.504 -0.644 0 CA-C-O 118.214 -1.325 . . . . 0.0 114.639 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 tptt 71.81 -18.12 0.32 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.91 2.484 . . . . 0.0 111.933 -171.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 33' ' ' GLY . 18.1 mm-40 -97.55 -75.2 0.55 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.279 2.232 . . . . 0.0 105.568 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.94 163.96 16.8 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 111.095 166.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 29' ' ' ILE . 64.7 Cg_exo -72.81 -168.57 0.42 Allowed 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 124.917 3.745 . . . . 0.0 116.138 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tp -154.22 106.45 2.79 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.641 1.177 . . . . 0.0 109.712 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.52 135.85 44.04 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.91 134.56 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 125.808 1.643 . . . . 0.0 107.889 -176.42 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CG ' ' HE2' ' A' ' 25' ' ' LYS . 25.4 tt0 -83.93 114.87 21.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.426 2.69 . . . . 0.0 109.102 173.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.49 166.65 20.87 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.601 0.761 . . . . 0.0 111.34 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 10.2 t70 -74.57 132.57 41.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.628 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -50.93 48.2 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.335 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -29.07 68.3 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.238 0.472 . . . . 0.0 111.198 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 21.8 ttmm -59.83 -75.31 0.06 Allowed 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 166.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.0 p -57.81 -26.63 28.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 tpp -50.61 -62.49 1.57 Allowed 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.822 0.849 . . . . 0.0 108.878 170.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.22 -22.48 41.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -81.25 -66.64 0.86 Allowed 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.11 -17.76 3.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.539 2.336 . . . . 0.0 112.832 173.586 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.11 -5.99 30.83 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 125.401 1.481 . . . . 0.0 112.474 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 157.24 34.92 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.334 1.425 . . . . 0.0 110.198 166.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -21.03 61.62 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.629 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.38 -23.59 50.11 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.54 1.536 . . . . 0.0 111.55 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 50.2 t80 -71.96 -52.97 14.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.321 -0.862 . . . . 0.0 111.994 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -76.27 -30.07 57.67 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 t -80.71 -40.53 25.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.27 1.028 . . . . 0.0 110.766 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.17 120.61 33.72 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -166.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -51.46 146.86 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.081 1.752 . . . . 0.0 114.416 -166.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.4 mt -109.86 158.22 18.4 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.008 1.723 . . . . 0.0 107.493 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -115.98 98.99 6.95 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.797 HG13 HD11 ' A' ' 30' ' ' ILE . 3.6 mm -76.55 110.89 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 121.384 -0.822 . . . . 0.0 108.951 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.73 81.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.85 96.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.232 0 C-N-CA 125.675 1.59 . . . . 0.0 108.364 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t70 55.19 27.84 10.21 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.932 0.893 . . . . 0.0 112.29 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.38 -2.3 37.22 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 118.476 -1.18 . . . . 0.0 114.697 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -100.72 124.75 46.79 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.498 1.649 . . . . 0.0 107.988 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.32 108.01 19.07 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.709 0.804 . . . . 0.0 110.832 -159.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.51 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.89 126.57 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -166.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.3 mmtm -83.57 124.62 30.95 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 122.932 0.493 . . . . 0.0 110.214 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -153.83 162.37 2.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 O-C-N 124.852 1.345 . . . . 0.0 111.733 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -148.03 142.74 26.65 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 122.055 -0.403 . . . . 0.0 110.247 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 128.75 37.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.787 -170.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -115.64 -18.49 10.86 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.166 0.916 . . . . 0.0 111.707 167.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -151.36 98.64 2.56 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.647 HG12 HG23 ' A' ' 89' ' ' ILE . 34.2 m -95.24 144.93 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 162.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.97 112.11 20.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 126.366 1.866 . . . . 0.0 106.382 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -81.83 164.59 21.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.97 1.308 . . . . 0.0 110.804 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.85 66.22 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.139 0.576 . . . . 0.0 110.677 162.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -83.88 -25.69 2.26 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.919 3.08 . . . . 0.0 113.218 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 10.68 0.86 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.048 0.939 . . . . 0.0 112.697 -176.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -123.45 157.56 61.47 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 125.144 1.377 . . . . 0.0 108.862 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.23 55.15 5.25 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.113 3.208 . . . . 0.0 109.739 167.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -126.46 -176.11 3.58 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.612 1.165 . . . . 0.0 109.312 -175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 89' ' ' ILE . 14.9 mt -127.94 159.88 33.58 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 125.763 1.625 . . . . 0.0 108.044 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.22 -25.26 4.9 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.426 1.49 . . . . 0.0 110.708 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -177.82 158.33 1.28 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 110.228 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 86' ' ' LEU . 87.3 mt -143.77 148.73 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 124.116 0.966 . . . . 0.0 108.772 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.43 117.42 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.406 2.282 . . . . 0.0 106.435 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.52 140.98 39.67 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.34 148.29 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-N 119.393 0.997 . . . . 0.0 108.943 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -59.85 91.94 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.474 1.91 . . . . 0.0 110.629 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.772 -1.585 . . . . 0.0 111.474 169.517 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 1 C4'-C3'-C2' 98.693 -4.007 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 P-O3'-C3' 124.997 4.414 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 P-O3'-C3' 122.67 2.475 . 0.354 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 1 O4'-C1'-N19 112.713 4.513 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 O4'-C1'-N19 114.114 5.914 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-O4' 112.299 2.213 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C5'-C4'-C3' 112.117 -2.255 . 0.789 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.45 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.426 1 O4'-C1'-N19 113.391 5.191 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 P-O3'-C3' 124.144 3.703 . 0.093 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.736 0 C3'-C2'-C1' 104.246 3.052 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 2 O4'-C1'-N19 112.772 4.572 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . 0.421 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.579 3.379 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.421 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 112.103 3.903 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 1 O4'-C1'-N19 114.822 6.622 . 0.402 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.905 -4.397 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 O4'-C1'-N19 112.326 4.126 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.916 3.716 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 C5'-C4'-C3' 109.747 -3.836 . 0.509 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.359 -2.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . 0.454 " H4'" " H5'" ' B' ' 292' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.475 0 O5'-C5'-C4' 114.485 3.06 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . 0.454 " H5'" " H4'" ' B' ' 291' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.91 2 P-O3'-C3' 126.695 5.829 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 O4'-C1'-N19 111.488 3.288 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C1'-N19 111.548 3.348 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 O4'-C1'-N19 113.047 4.847 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O5'-C5'-C4' 112.976 1.983 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.672 4.472 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C5'-C4'-O4' 113.25 2.893 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . 0.418 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 O3'-P-O5' 97.887 -3.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.775 3.575 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 112.05 3.85 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 O4'-C1'-N19 113.227 5.027 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 1 O4'-C1'-N19 112.563 4.363 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C3'-C2'-C1' 104.399 3.221 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.488 4.288 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.356 3.156 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.557 3.357 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 110.946 2.746 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 76.48 -31.56 0.19 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 127.559 2.344 . . . . 0.0 113.755 165.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 62' ' ' THR . 22.0 m 68.0 108.31 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.35 2.66 . . . . 0.0 112.317 170.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -105.49 83.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 -169.074 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.426 ' ND2' ' HE2' ' A' ' 46' ' ' LYS . 3.6 m-20 -59.84 117.97 5.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.082 0.553 . . . . 0.0 109.543 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.95 -161.19 0.94 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.724 1.61 . . . . 0.0 108.082 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.4 139.96 13.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.858 2.063 . . . . 0.0 106.143 167.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 40' ' ' ILE . 3.4 m -63.21 134.37 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 O-C-N 121.62 -0.675 . . . . 0.0 111.118 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -127.64 156.78 41.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.747 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.7 mmpt? -134.83 -2.88 2.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.264 1.426 . . . . 0.0 113.061 167.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.23 12.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.903 2.481 . . . . 0.0 115.127 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -34.59 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -172.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.97 -16.87 0.05 OUTLIER Glycine 0 CA--C 1.532 1.144 0 C-N-CA 128.12 2.771 . . . . 0.0 117.591 -174.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 160.89 -34.16 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 1 C-N-CA 132.402 4.281 . . . . 0.0 107.805 159.643 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.83 -33.32 49.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.14 1.829 . . . . 0.0 113.988 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -51.24 12.76 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.439 1.12 . . . . 0.0 110.385 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 m -58.37 -23.52 57.22 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.34 -0.85 . . . . 0.0 112.526 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -36.23 14.2 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 126.223 1.809 . . . . 0.0 112.688 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.86 -40.56 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 121.445 1.929 . . . . 0.0 110.399 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.62 -59.52 5.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.764 1.226 . . . . 0.0 109.944 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -64.46 -19.15 65.38 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.505 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -15.45 60.24 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.95 -92.84 0.22 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 167.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -165.74 9.92 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.769 2.427 . . . . 0.0 111.164 169.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -75.31 174.37 9.63 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.796 1.639 . . . . 0.0 108.471 174.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.6 p90 -159.35 151.74 17.62 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.75 158.91 49.61 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.144 1.229 . . . . 0.0 113.347 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.71 179.41 7.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.253 1.021 . . . . 0.0 110.631 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.46 160.81 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 124.546 1.138 . . . . 0.0 109.394 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.582 HD11 HG13 ' A' ' 63' ' ' ILE . 47.1 mt -131.14 95.26 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CD1' HG12 ' A' ' 92' ' ' VAL . 1.2 p90 -113.87 -179.68 3.7 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -171.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.16 23.5 63.3 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.07 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.0 -86.33 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -167.49 -55.67 0.03 OUTLIER 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 124.772 1.229 . . . . 0.0 107.786 161.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.25 -48.65 11.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.122 0.969 . . . . 0.0 109.81 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.05 163.76 18.46 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.958 0.903 . . . . 0.0 111.987 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 5.6 Cg_endo -92.36 -167.82 0.2 Allowed 'Trans proline' 0 CA--C 1.543 0.926 1 C-N-CA 125.935 4.423 . . . . 0.0 111.8 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -152.44 102.31 2.73 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.651 0.78 . . . . 0.0 109.799 -171.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.32 133.83 43.98 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.534 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -140.61 127.44 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -174.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.48 122.8 26.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.378 2.671 . . . . 0.0 109.432 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.34 169.33 17.87 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.84 0.829 . . . . 0.0 113.122 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.28 131.69 39.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.757 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.09 -51.25 62.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.224 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.43 -40.71 78.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.294 0.497 . . . . 0.0 111.392 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HE2' ' ND2' ' A' ' 5' ' ' ASN . 1.0 OUTLIER -59.04 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.5 p -55.29 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 tpp -49.94 -63.37 1.13 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.033 1.333 . . . . 0.0 108.787 172.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.39 -19.58 48.2 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.2 mmt -83.71 -69.3 0.65 Allowed 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.543 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -51.66 -19.89 1.78 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.871 2.868 . . . . 0.0 113.896 176.033 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -57.61 -19.46 26.17 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.377 1.471 . . . . 0.0 113.028 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.75 45.44 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-O 121.402 0.62 . . . . 0.0 112.384 -171.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.22 75.12 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.065 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -5.64 36.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.882 1.673 . . . . 0.0 111.911 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 17.7 t80 -82.16 -53.63 5.92 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.725 167.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -69.36 -32.22 71.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 118.134 -1.426 . . . . 0.0 110.924 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -82.79 -34.58 26.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.682 1.193 . . . . 0.0 111.963 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.09 115.1 22.46 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.526 1.057 . . . . 0.0 108.17 -166.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.14 142.2 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 127.35 2.26 . . . . 0.0 113.346 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' A' ' 56' ' ' PHE . 10.2 mt -114.33 156.1 25.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.485 1.114 . . . . 0.0 108.9 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.7 m -110.25 99.63 8.64 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.582 HG13 HD11 ' A' ' 30' ' ' ILE . 4.6 mm -78.45 107.67 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 121.026 -1.046 . . . . 0.0 108.425 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.0 t -91.92 84.74 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 -177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 40' ' ' ILE . 7.4 m -76.71 97.84 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 -176.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.43 29.83 17.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.88 0.372 . . . . 0.0 111.787 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.93 -3.46 52.29 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.696 -1.058 . . . . 0.0 114.485 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -102.43 123.1 45.59 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.114 1.457 . . . . 0.0 109.258 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.24 110.58 23.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.953 0.901 . . . . 0.0 111.084 -162.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.5 131.9 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -172.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 12.2 mmtm -88.23 129.31 35.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.65 1.18 . . . . 0.0 110.756 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 24.1 m -153.95 160.31 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.671 1.988 . . . . 0.0 111.091 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -131.89 132.78 43.93 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.854 0.862 . . . . 0.0 109.315 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.05 134.12 56.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.388 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -113.68 -31.56 6.43 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.946 0.779 . . . . 0.0 112.153 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -155.22 109.39 2.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.085 1.354 . . . . 0.0 107.489 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 89' ' ' ILE . 34.9 m -97.01 146.15 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 164.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.12 115.67 20.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -80.03 166.1 21.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.198 0.999 . . . . 0.0 111.439 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.7 161.14 47.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 122.994 0.518 . . . . 0.0 110.808 163.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.55 -26.27 3.29 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.403 2.736 . . . . 0.0 113.38 -173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -139.67 -6.68 1.3 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.195 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -114.74 155.72 45.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 124.769 1.227 . . . . 0.0 109.055 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 56.79 5.81 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.893 3.062 . . . . 0.0 110.154 171.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -124.81 -170.77 2.22 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 125.146 1.378 . . . . 0.0 109.949 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -129.04 144.29 51.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.163 1.785 . . . . 0.0 108.083 -175.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.92 -32.37 11.35 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.044 1.738 . . . . 0.0 110.241 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -176.46 157.94 1.74 Allowed 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.29 1.436 . . . . 0.0 109.091 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.71 HG23 HG12 ' A' ' 77' ' ' VAL . 80.1 mt -145.9 148.84 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -119.29 156.44 29.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 164.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.74 157.16 39.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 165.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 31' ' ' TYR . 3.2 m -119.39 143.61 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -56.3 95.86 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.464 1.906 . . . . 0.0 112.796 -164.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.254 1.327 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.711 166.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 112.948 4.748 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 O4'-C1'-N19 111.17 2.97 . 0.208 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 O4'-C1'-N19 111.316 3.116 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 112.82 4.62 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 1 O4'-C1'-N19 114.039 5.839 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C5'-C4'-O4' 112.339 2.242 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 C5'-C4'-C3' 111.868 -2.422 . 0.813 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.474 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.327 1 O4'-C1'-N19 113.401 5.201 . 0.468 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 1 C4'-C3'-C2' 98.54 -4.16 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 N19-C1'-C2' 108.18 -3.262 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 2 O4'-C1'-N19 113.021 4.821 . 0.223 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . 0.411 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 110.87 2.67 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.411 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.822 3.622 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 O4'-C1'-N19 114.785 6.585 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O5'-C5'-C4' 114.61 3.15 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 O4'-C1'-N19 111.905 3.705 . 0.262 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.257 5.057 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 113.006 4.806 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 O4'-C1'-N19 111.11 2.91 . 0.392 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 O4'-C1'-N19 112.207 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C1'-N19 112.891 4.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 1 O4'-C1'-N19 112.926 4.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 110.589 2.389 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C1'-N19 113.33 5.13 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 99.775 -2.925 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.585 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.975 1 O4'-C1'-N19 112.615 4.415 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.55 0 P-O3'-C3' 124.223 3.769 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . 0.404 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O3'-P-O5' 98.626 -2.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.85 3.65 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 112.39 4.19 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 1 O4'-C1'-N19 112.614 4.414 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 1 O4'-C1'-N19 112.637 4.437 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C3'-C2'-C1' 104.763 3.625 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.318 4.118 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C4'-C3'-C2' 99.631 -3.069 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . 0.41 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 113.685 5.485 OUTLIER-EPSILON 0.648 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.6 3 P-O3'-C3' 125.553 4.877 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptm . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.394 0.14 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 47.54 47.14 17.61 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.021 -1.674 . . . . 0.0 110.512 -158.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -84.77 127.98 34.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 128.421 2.689 . . . . 0.0 108.015 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -124.56 81.35 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -168.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -62.25 116.17 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.306 1.042 . . . . 0.0 109.368 -170.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -122.48 -161.39 0.94 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.426 1.09 . . . . 0.0 108.533 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -154.46 140.63 18.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.4 139.43 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.913 0.387 . . . . 0.0 110.221 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -140.34 145.36 37.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.061 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -125.44 3.03 7.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.865 0.866 . . . . 0.0 112.826 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.17 15.1 1.24 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.377 1.871 . . . . 0.0 113.023 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.0 33.5 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.149 2.18 . . . . 0.0 115.863 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.56 22.64 0.03 OUTLIER Glycine 0 CA--C 1.543 1.835 0 C-N-CA 128.242 2.829 . . . . 0.0 118.628 -171.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.4 OUTLIER 124.86 -30.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 136.993 6.117 . . . . 0.0 109.802 168.902 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.3 98.31 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.438 1.018 . . . . 0.0 113.145 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.48 54.83 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 117.815 0.807 . . . . 0.0 111.222 172.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -60.44 -27.25 67.36 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.613 -0.679 . . . . 0.0 111.434 -173.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -35.0 16.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.062 -1.447 . . . . 0.0 111.645 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -73.65 -39.66 64.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 121.092 1.769 . . . . 0.0 109.604 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -56.23 17.67 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.818 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.977 0.808 . . . . 0.0 111.665 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.28 -11.62 60.32 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.5 13.57 8.78 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.474 1.51 . . . . 0.0 112.852 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 64.68 10.98 6.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.521 0.728 . . . . 0.0 112.949 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -82.41 174.64 10.91 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 163.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' HZ ' HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -161.78 154.93 17.52 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.81 161.43 45.96 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.08 1.853 . . . . 0.0 113.915 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.46 7.14 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.936 160.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' HB2' ' A' ' 37' ' ' PRO . 9.3 tp -138.28 153.81 27.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.721 1.608 . . . . 0.0 110.424 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 63' ' ' ILE . 48.3 mt -131.71 110.14 16.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 126.574 1.95 . . . . 0.0 105.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -132.12 178.56 6.7 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.02 11.48 0.02 OUTLIER Glycine 0 C--N 1.339 0.714 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.28 -165.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.76 -86.09 0.01 OUTLIER Glycine 0 C--N 1.341 0.83 0 C-N-CA 126.96 2.219 . . . . 0.0 114.021 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.53 1.532 . . . . 0.0 112.558 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -84.86 -11.53 55.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.32 1.048 . . . . 0.0 111.749 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HB1' ' CD ' ' A' ' 37' ' ' PRO . . . 57.67 178.76 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 127.373 2.269 . . . . 0.0 112.273 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' CD ' ' HB1' ' A' ' 36' ' ' ALA . 24.8 Cg_endo -103.75 165.96 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.706 2.271 . . . . 0.0 113.502 -163.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.67 100.72 1.95 Allowed 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.323 1.049 . . . . 0.0 109.653 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -71.16 139.54 50.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.032 -0.418 . . . . 0.0 110.161 174.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.426 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -135.68 146.4 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 C-N-CA 125.3 1.44 . . . . 0.0 107.875 178.046 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.66 115.91 31.34 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 128.589 2.756 . . . . 0.0 108.779 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 4' ' ' ILE . 2.6 pt? -134.76 169.4 17.4 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.323 0.649 . . . . 0.0 111.835 -176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.25 132.23 39.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.768 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -52.0 46.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.687 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.52 -27.39 67.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.106 0.866 . . . . 0.0 112.194 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -61.2 -81.81 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.42 1.088 . . . . 0.0 108.829 164.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -48.62 -28.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -172.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 tpt -48.37 -66.47 0.4 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 125.726 1.61 . . . . 0.0 110.394 166.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.53 -20.55 5.09 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 172.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.421 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 4.2 mmt -87.2 -65.37 1.02 Allowed 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 117.778 -1.106 . . . . 0.0 108.197 -173.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.1 pp0? -60.74 -8.28 2.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 121.45 1.932 . . . . 0.0 113.656 173.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 1.83 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.096 1.358 . . . . 0.0 112.216 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 156.78 41.92 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.607 1.549 . . . . 0.0 109.498 160.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.56 62.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.907 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.42 -18.13 48.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.948 2.099 . . . . 0.0 112.2 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 52.4 t80 -75.76 -47.16 27.07 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 122.498 1.142 . . . . 0.0 111.788 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -70.31 -37.71 74.81 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.249 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -80.94 -51.64 8.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.745 1.618 . . . . 0.0 109.93 -174.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.65 123.98 49.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.77 146.5 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.331 1.452 . . . . 0.0 111.991 -165.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 29.1 mt -106.24 152.87 22.95 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 125.869 1.668 . . . . 0.0 108.414 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 m -111.99 100.65 9.05 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.709 0.686 . . . . 0.0 109.475 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.874 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -78.37 110.54 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 120.985 -1.072 . . . . 0.0 108.707 176.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.3 t -93.38 82.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 70' ' ' ILE . 10.8 m -74.06 96.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.771 1.628 . . . . 0.0 107.784 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 56.85 25.95 11.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.749 0.82 . . . . 0.0 112.448 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.23 34.07 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.767 1.175 . . . . 0.0 114.497 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -97.49 122.85 41.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.167 1.483 . . . . 0.0 108.18 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.34 109.58 22.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.768 0.827 . . . . 0.0 111.114 -162.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 125.16 70.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -169.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -83.81 122.54 28.82 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.317 0.647 . . . . 0.0 110.74 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 70' ' ' ILE . 24.9 m -152.2 161.32 3.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 O-C-N 124.464 1.103 . . . . 0.0 112.277 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -143.39 143.6 31.71 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.693 -0.63 . . . . 0.0 109.79 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -77.55 118.48 20.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.831 -163.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.86 -14.09 14.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.388 1.055 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -158.13 103.69 1.85 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.511 1.524 . . . . 0.0 108.102 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.818 HG12 HG23 ' A' ' 89' ' ' ILE . 17.4 m -98.41 137.35 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 161.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -107.4 109.28 20.97 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.975 1.71 . . . . 0.0 106.851 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -78.32 161.43 27.22 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.652 0.781 . . . . 0.0 109.94 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.29 159.96 77.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.143 0.577 . . . . 0.0 110.533 168.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.15 -27.25 1.57 Allowed 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 123.741 2.96 . . . . 0.0 113.263 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -144.42 7.3 1.32 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.252 1.421 . . . . 0.0 112.145 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -125.53 156.11 71.05 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.177 1.391 . . . . 0.0 109.03 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.52 63.17 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.818 3.012 . . . . 0.0 109.152 167.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -133.51 -176.28 4.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.698 1.199 . . . . 0.0 109.801 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 HD11 ' A' ' 89' ' ' ILE . 13.1 mt -124.49 156.72 36.8 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.135 1.774 . . . . 0.0 108.712 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -117.16 -32.56 4.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.686 1.594 . . . . 0.0 110.089 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -177.34 158.06 1.4 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.783 1.633 . . . . 0.0 109.899 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.818 HG23 HG12 ' A' ' 77' ' ' VAL . 86.9 mt -142.83 144.47 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.001 0.92 . . . . 0.0 108.606 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.22 134.04 55.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.276 2.23 . . . . 0.0 105.973 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -122.12 151.73 40.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 167.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.76 150.5 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 93.99 0.02 OUTLIER 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.862 1.665 . . . . 0.0 110.52 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 116.337 -1.792 . . . . 0.0 112.365 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C3'-C2'-C1' 104.949 3.832 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 C3'-C2'-C1' 104.287 3.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.541 4.341 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 1 O4'-C1'-N19 114.19 5.99 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C3'-C2'-C1' 104.474 3.304 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.912 3 P-O3'-C3' 124.892 4.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.561 1 O4'-C1'-N19 112.757 4.557 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 C4'-C3'-C2' 97.914 -4.786 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 N19-C1'-C2' 106.994 -4.004 . 0.353 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 2 O4'-C1'-N19 113.304 5.104 . 0.255 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.338 3.138 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 110.729 2.529 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 O4'-C1'-N19 113.789 5.589 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-C3' 109.703 -3.864 . 0.036 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 O4'-C1'-N19 112.31 4.11 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 1 O4'-C1'-N19 112.484 4.284 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 O4'-C1'-N19 111.043 2.843 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.852 3.652 . 0.709 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 C5'-C4'-C3' 109.23 -4.18 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 N19-C1'-C2' 120.299 4.312 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.665 3.465 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 O4'-C1'-N19 112.146 3.946 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 1 O4'-C1'-N19 112.834 4.634 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.711 3.511 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.599 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.77 1 O4'-C1'-N19 113.488 5.288 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C5'-C4'-O4' 113.061 2.758 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 O4'-C1'-N19 114.815 6.615 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 O4'-C1'-N19 113.582 5.382 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.694 0 O4'-C1'-N19 110.845 2.645 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.79 1 O4'-C1'-N19 112.249 4.049 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.298 4.098 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.386 -3.314 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 110.697 2.497 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C4'-C3'-C2' 100.088 -2.612 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 112.277 4.077 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 O4'-C1'-N19 111.46 3.26 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ptm . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.35 -60.35 3.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.788 1.235 . . . . 0.0 110.767 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 HG23 ' HB ' ' A' ' 62' ' ' THR . 3.7 m 65.43 120.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.116 2.566 . . . . 0.0 113.82 168.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.514 HD11 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -115.36 79.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 123.891 0.876 . . . . 0.0 109.29 -165.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.75 123.95 18.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -174.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -132.95 -166.2 1.72 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.045 1.338 . . . . 0.0 110.162 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -154.83 109.14 2.96 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.472 1.509 . . . . 0.0 109.775 -168.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.49 HG13 ' HB ' ' A' ' 65' ' ' VAL . 33.7 m -55.3 112.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.171 0.51 . . . . 0.0 110.489 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -127.07 139.14 53.21 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.197 -171.747 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 9.9 mmpt? -126.31 3.27 7.04 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.86 0.725 . . . . 0.0 112.919 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.74 16.61 0.37 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.876 2.07 . . . . 0.0 112.915 -174.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -69.05 0.15 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 126.129 1.772 . . . . 0.0 113.56 -158.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 10.04 -76.01 0.0 OUTLIER Glycine 0 C--N 1.342 0.912 1 C-N-CA 131.185 4.231 . . . . 0.0 115.541 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -155.69 -17.87 0.11 Allowed 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.519 -0.989 . . . . 0.0 110.125 159.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.86 -42.82 80.75 Favored Glycine 0 C--N 1.346 1.127 0 C-N-CA 126.317 1.913 . . . . 0.0 112.799 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -62.84 -50.29 71.54 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.054 1.427 . . . . 0.0 110.222 173.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -62.61 -16.48 56.8 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.454 0.702 . . . . 0.0 112.584 -170.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -28.53 12.91 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.146 -1.407 . . . . 0.0 113.689 177.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -71.62 -37.18 70.93 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.038 1.744 . . . . 0.0 109.567 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -66.23 -58.13 6.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.544 1.138 . . . . 0.0 109.682 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -58.92 -28.71 66.47 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 118.594 0.634 . . . . 0.0 111.98 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.89 -23.04 63.19 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.7 16.45 17.46 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.824 1.249 . . . . 0.0 111.984 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.95 11.89 7.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.533 0.733 . . . . 0.0 112.824 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.4 mtmm -85.26 175.06 9.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 167.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -160.44 152.06 16.41 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.82 159.3 48.64 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.464 1.443 . . . . 0.0 113.159 -169.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 177.44 8.85 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.34 1.056 . . . . 0.0 110.568 164.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.8 tp -134.85 156.14 39.42 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 C-N-CA 124.756 1.223 . . . . 0.0 109.397 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 63' ' ' ILE . 68.1 mt -125.3 80.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 104.442 -2.429 . . . . 0.0 104.442 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -88.82 -176.03 5.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.302 0.376 . . . . 0.0 110.423 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.57 4.28 0.05 OUTLIER Glycine 0 C--N 1.337 0.608 0 CA-C-O 117.205 -1.886 . . . . 0.0 116.463 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 34.38 60.49 0.6 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.659 2.076 . . . . 0.0 114.046 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -147.27 -49.74 0.18 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.065 0.946 . . . . 0.0 111.152 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -130.97 13.87 5.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.236 1.415 . . . . 0.0 112.139 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.44 152.84 0.12 Allowed Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.881 2.472 . . . . 0.0 111.719 -165.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HB2' HD11 ' A' ' 29' ' ' ILE . 23.4 Cg_exo -59.91 -179.75 0.24 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 124.232 3.288 . . . . 0.0 117.228 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.05 103.65 3.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -69.34 138.29 53.61 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.532 HD11 HG13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -142.77 141.04 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.402 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 3.1 tt0 -104.1 111.19 23.67 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.07 1.748 . . . . 0.0 107.578 -168.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -129.19 166.1 20.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.605 0.762 . . . . 0.0 112.511 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.69 132.73 45.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.957 0.903 . . . . 0.0 109.491 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -70.62 -50.71 34.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.923 -0.561 . . . . 0.0 109.935 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.09 -28.41 68.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.5 0.591 . . . . 0.0 111.335 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.6 ttmm -59.94 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.347 0.466 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 163.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.1 p -54.18 -26.97 16.03 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -167.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -63.24 1.16 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.147 1.779 . . . . 0.0 109.653 169.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -56.64 -21.87 30.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.704 1.138 . . . . 0.0 113.867 173.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.1 mmm -85.18 -65.88 0.96 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.458 -171.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.17 -8.49 3.61 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 121.104 1.774 . . . . 0.0 113.885 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -1.04 17.73 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.792 1.637 . . . . 0.0 112.256 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 157.5 37.16 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.574 1.533 . . . . 0.0 109.94 159.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.68 60.1 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -57.25 -20.28 26.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.437 1.895 . . . . 0.0 111.273 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 76.1 t80 -68.33 -56.09 9.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.907 -1.121 . . . . 0.0 111.697 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -77.36 -28.24 52.88 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.607 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -76.54 -50.23 14.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.844 1.258 . . . . 0.0 110.211 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.78 103.43 12.51 Favored 'General case' 0 C--N 1.344 0.336 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -161.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 71' ' ' LYS . 7.7 p -40.53 124.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 128.074 2.55 . . . . 0.0 113.323 -170.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 4' ' ' ILE . 63.6 mt -88.8 151.75 22.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.797 1.239 . . . . 0.0 107.712 -171.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.415 ' HB ' HG23 ' A' ' 3' ' ' THR . 4.4 m -109.76 99.33 8.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.1 108.86 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.01 82.8 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' HB ' HG13 ' A' ' 8' ' ' VAL . 3.2 m -75.87 97.75 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 C-N-CA 126.423 1.889 . . . . 0.0 106.234 -174.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.21 23.88 9.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.523 0.729 . . . . 0.0 112.265 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.94 -10.35 29.56 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.771 -1.016 . . . . 0.0 114.673 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -97.93 128.94 44.83 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.047 1.423 . . . . 0.0 109.108 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -97.59 110.81 23.3 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.503 0.721 . . . . 0.0 111.518 -163.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.49 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -115.7 128.97 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -170.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HD2' HG22 ' A' ' 60' ' ' VAL . 4.6 mmtm -88.75 126.04 35.15 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.19 0.996 . . . . 0.0 110.775 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG13 HG22 ' A' ' 70' ' ' ILE . 26.3 m -152.49 161.11 2.95 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 C-N-CA 125.786 1.635 . . . . 0.0 111.088 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -133.26 134.06 43.45 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.625 0.77 . . . . 0.0 109.525 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 139.86 57.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.349 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -118.17 -43.24 2.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.966 0.906 . . . . 0.0 110.448 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -146.75 105.74 3.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.636 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -89.96 143.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 161.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.06 114.49 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 -79.08 162.17 26.04 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.213 0.53 . . . . 0.0 110.092 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 160.62 70.55 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 123.79 0.836 . . . . 0.0 110.58 170.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.28 -7.7 9.91 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.291 2.661 . . . . 0.0 113.333 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -143.48 -57.46 0.4 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.617 1.099 . . . . 0.0 111.039 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 14.7 ptmt -78.63 158.0 76.41 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.228 1.811 . . . . 0.0 109.766 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.54 16.18 1.11 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.694 2.93 . . . . 0.0 114.347 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.86 -169.76 0.5 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.381 1.472 . . . . 0.0 111.566 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 89' ' ' ILE . 10.9 mt -121.57 155.25 35.43 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 126.875 2.07 . . . . 0.0 108.776 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.0 -37.3 7.01 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.931 1.692 . . . . 0.0 110.155 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -178.5 157.74 1.02 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.872 1.669 . . . . 0.0 108.934 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 77' ' ' VAL . 81.9 mt -144.48 148.22 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -122.38 154.21 38.0 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.599 0.76 . . . . 0.0 109.128 168.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.99 148.02 50.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.26 144.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.53 99.66 0.04 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.425 1.49 . . . . 0.0 110.089 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.271 168.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 100.407 -2.293 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 2 O4'-C1'-N19 114.363 6.163 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O5'-C5'-C4' 114.924 3.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 O4'-C1'-N19 112.888 4.688 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 114.833 6.633 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 112.515 2.368 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.506 -2.663 . 0.538 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.477 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.308 1 O4'-C1'-N19 113.075 4.875 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 P-O3'-C3' 123.704 3.337 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . 0.508 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.649 0 C4'-C3'-C2' 99.67 -3.03 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . 0.508 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 2 O4'-C1'-N19 112.853 4.653 . 0.721 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.634 3.434 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.982 3.782 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 1 O4'-C1'-N19 115.506 7.306 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.535 0 P-O3'-C3' 123.636 3.28 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 111.808 3.608 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 1 O4'-C1'-N19 112.811 4.611 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.504 1 O4'-C1'-N19 114.038 5.838 . 0.102 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.057 1 O5'-C5'-C4' 116.465 4.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.921 2 O4'-C1'-N19 115.442 7.242 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 2 P-O3'-C3' 126.486 5.655 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 1 O4'-C1'-N19 114.847 6.647 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 111.499 3.299 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 O4'-C1'-N19 113.512 5.312 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O5'-C5'-C4' 113.676 2.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 1 O4'-C1'-N19 113.548 5.348 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C5'-C4'-O4' 113.232 2.88 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.508 3.308 . 0.231 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O4'-C1'-N19 111.693 3.493 . 0.082 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 1 O4'-C1'-N19 112.268 4.068 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.435 4.235 . 0.355 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 113.292 5.092 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 C4'-C3'-C2' 99.416 -3.284 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 0 O4'-C1'-N19 111.675 3.475 . 0.278 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.604 3.404 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 O4'-C1'-N19 113.924 5.724 OUTLIER-EPSILON 0.615 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.673 2 P-O3'-C3' 126.439 5.616 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptm . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 58.43 -83.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.015 1.326 . . . . 0.0 108.44 -157.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m 67.46 103.77 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.168 2.987 . . . . 0.0 112.073 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.72 82.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -166.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.04 115.32 3.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -121.64 -161.87 0.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.926 1.69 . . . . 0.0 108.095 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.1 139.72 12.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.777 2.031 . . . . 0.0 106.217 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.12 141.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 123.394 0.678 . . . . 0.0 111.976 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.89 149.57 35.55 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 175.271 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.6 mmpt? -131.21 -5.72 3.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.264 1.825 . . . . 0.0 113.52 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.7 pm0 -69.92 15.54 0.08 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.271 2.628 . . . . 0.0 114.943 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -32.97 17.72 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 -169.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.74 -3.92 0.02 OUTLIER Glycine 0 CA--C 1.546 1.992 0 C-N-CA 128.396 2.903 . . . . 0.0 118.648 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 136.41 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.809 5.244 . . . . 0.0 110.451 166.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.51 -46.4 92.04 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.285 0.948 . . . . 0.0 112.571 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -64.48 -43.55 93.82 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 121.989 0.9 . . . . 0.0 109.889 172.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -27.37 67.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.727 0.811 . . . . 0.0 111.308 -167.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -43.45 12.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 116.498 -1.715 . . . . 0.0 111.419 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.24 -35.6 79.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.563 1.983 . . . . 0.0 111.577 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -59.06 3.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.034 -175.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -65.11 -18.56 65.4 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.074 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.31 60.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 171.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.31 19.21 11.43 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.526 1.53 . . . . 0.0 112.118 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.84 6.21 4.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.143 0.977 . . . . 0.0 113.44 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -84.47 176.87 8.37 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.535 1.134 . . . . 0.0 108.577 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.8 p90 -159.66 152.43 17.96 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.2 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.888 1.725 . . . . 0.0 112.07 -173.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.55 179.94 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 110.676 163.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -139.0 156.8 28.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 124.64 1.176 . . . . 0.0 109.928 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.803 HD11 HG13 ' A' ' 63' ' ' ILE . 49.1 mt -126.22 88.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 174.34 6.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -172.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.74 103.2 0.66 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -158.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.84 58.8 1.74 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.858 1.218 . . . . 0.0 111.699 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -138.45 -48.46 0.53 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 130.464 3.506 . . . . 0.0 109.306 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.01 -6.67 13.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.328 1.451 . . . . 0.0 112.119 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.84 151.94 0.12 Allowed Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 126.868 2.067 . . . . 0.0 109.273 -158.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.613 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.0 Cg_exo -72.2 176.9 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 N-CA-C 115.153 1.174 . . . . 0.0 115.153 -167.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -146.8 101.63 3.46 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.613 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.56 135.36 45.57 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.437 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.42 132.58 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.894 1.677 . . . . 0.0 107.626 -174.294 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.62 118.84 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 127.993 2.517 . . . . 0.0 108.614 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.99 166.33 23.91 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.793 0.806 . . . . 0.0 110.881 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 131.99 39.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.374 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.86 -49.52 74.55 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 123.595 0.758 . . . . 0.0 109.67 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.56 -36.49 82.84 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.53 0.604 . . . . 0.0 111.845 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -74.28 0.07 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 170.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.7 p -58.87 -26.4 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -169.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -61.07 2.38 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.524 1.53 . . . . 0.0 108.109 171.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -57.42 -23.84 51.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.687 1.131 . . . . 0.0 113.972 173.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.7 mmt -81.01 -68.79 0.66 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 119.073 0.851 . . . . 0.0 109.758 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.82 -7.03 3.12 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.758 1.163 . . . . 0.0 113.583 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 -3.96 23.55 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 125.035 1.334 . . . . 0.0 112.613 172.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 159.21 33.78 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.38 1.446 . . . . 0.0 110.831 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.95 60.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.11 -20.89 28.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.281 1.432 . . . . 0.0 111.783 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 75.4 t80 -71.51 -51.87 21.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.191 -0.943 . . . . 0.0 112.179 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -81.7 -29.05 33.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.674 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 t -85.22 -22.89 28.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.707 1.203 . . . . 0.0 111.847 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 127.61 34.62 Favored 'General case' 0 C--N 1.343 0.309 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -175.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.04 145.47 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 126.001 1.72 . . . . 0.0 112.931 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 56' ' ' PHE . 19.7 mt -113.02 157.09 21.97 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 107.831 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 m -110.27 99.56 8.59 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 30' ' ' ILE . 4.9 mm -74.77 111.35 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 O-C-N 120.864 -1.148 . . . . 0.0 108.562 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.4 84.65 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 18.6 m -75.5 99.94 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.271 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 55.78 30.29 15.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 118.267 0.485 . . . . 0.0 111.803 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.0 -1.12 57.66 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.71 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 6.1 mtmt -102.35 124.99 48.9 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.226 1.513 . . . . 0.0 108.03 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.84 107.38 18.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.276 0.63 . . . . 0.0 111.198 -158.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.32 130.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -169.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 13.2 mmtm -84.54 127.92 34.31 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.734 0.814 . . . . 0.0 111.191 173.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 70' ' ' ILE . 31.3 m -154.21 164.49 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 125.144 1.378 . . . . 0.0 112.7 174.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.56 137.72 21.76 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.18 154.65 19.17 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -165.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -129.99 -34.58 1.68 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 165.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.44 93.4 2.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.676 HG12 HG23 ' A' ' 89' ' ' ILE . 32.7 m -84.71 140.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 158.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -119.03 110.77 17.49 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.014 2.126 . . . . 0.0 105.805 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -77.31 165.25 24.71 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.359 0.664 . . . . 0.0 109.589 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 156.32 39.25 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 164.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -80.99 -16.13 10.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.453 2.768 . . . . 0.0 112.964 -169.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -148.59 5.35 0.7 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 112.227 -177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -133.86 158.76 74.68 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.408 1.483 . . . . 0.0 108.748 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.08 16.09 0.7 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.798 2.999 . . . . 0.0 113.498 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -83.83 -170.78 3.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.544 1.538 . . . . 0.0 110.709 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 89' ' ' ILE . 22.0 mt -119.01 163.69 16.58 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.532 1.933 . . . . 0.0 109.874 173.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.07 -35.2 2.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 127.678 2.391 . . . . 0.0 110.603 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.63 157.42 4.7 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 124.847 1.259 . . . . 0.0 109.884 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.676 HG23 HG12 ' A' ' 77' ' ' VAL . 87.9 mt -145.54 148.96 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -125.34 160.88 28.26 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.397 0.679 . . . . 0.0 109.783 165.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.38 142.56 43.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.27 148.58 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.609 1.095 . . . . 0.0 108.608 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -57.54 94.44 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.858 2.063 . . . . 0.0 109.847 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.867 176.727 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-C2' 101.712 -3.349 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 P-O3'-C3' 124.602 4.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 110.815 2.615 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 O4'-C1'-N19 113.024 4.824 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 1 O4'-C1'-N19 114.788 6.588 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-O4' 112.372 2.266 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.303 1 O4'-C1'-N19 114.001 5.801 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 2 C5'-C4'-C3' 107.882 -5.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 1 C4'-C3'-C2' 98.486 -4.214 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.994 0 C3'-C2'-C1' 104.215 3.017 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 2 P-O3'-C3' 125.591 4.909 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.29 -3.41 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O4'-C1'-N19 111.332 3.132 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 O4'-C1'-N19 114.837 6.637 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 2 P-O3'-C3' 125.439 4.783 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 112.159 3.959 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 1 O4'-C1'-N19 113.29 5.09 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 1 O4'-C1'-N19 112.232 4.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.321 3 C5'-C4'-C3' 108.567 -4.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 1 O4'-C1'-N19 112.952 4.752 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.177 3 P-O3'-C3' 127.597 6.581 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 113.315 5.115 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.525 3.325 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 1 O4'-C1'-N19 115.097 6.897 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 111.138 -2.908 . 0.129 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 O4'-C1'-N19 113.527 5.327 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C5'-C4'-O4' 113.34 2.957 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.934 3.734 OUTLIER-DELTA 0.084 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.646 3.446 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 P-O3'-C3' 124.623 4.102 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 O4'-C1'-N19 111.909 3.709 . 0.287 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 1 O4'-C1'-N19 112.485 4.285 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . 0.413 ' C2 ' " H1'" ' B' ' 305' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C4'-C3'-C2' 98.726 -3.974 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . 0.413 " H1'" ' C2 ' ' B' ' 304' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.984 1 O4'-C1'-N19 114.07 5.87 . 0.195 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 111.906 3.706 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 1 O4'-C1'-N19 112.587 4.387 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.589 -0.719 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -41.72 -71.01 0.09 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.547 1.939 . . . . 0.0 112.221 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.423 HG23 ' HB ' ' A' ' 62' ' ' THR . 2.6 m 60.55 96.68 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.263 2.225 . . . . 0.0 114.329 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -99.15 85.25 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -171.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -60.72 117.23 5.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.32 -161.69 0.95 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.606 1.563 . . . . 0.0 108.008 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -158.58 143.02 15.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.677 1.991 . . . . 0.0 106.243 165.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.6 m -64.97 131.95 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 123.285 0.634 . . . . 0.0 110.898 -175.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.457 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -128.55 143.09 50.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.723 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? -133.72 -0.21 3.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.826 1.25 . . . . 0.0 113.88 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.95 12.49 0.4 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.473 2.309 . . . . 0.0 114.999 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -26.25 24.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -34.83 -27.67 0.01 OUTLIER Glycine 0 CA--C 1.542 1.722 0 C-N-CA 127.343 2.401 . . . . 0.0 116.121 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 1.1 tmtm? 168.36 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 1 C-N-CA 131.706 4.003 . . . . 0.0 109.17 158.465 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.93 41.34 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.709 1.623 . . . . 0.0 113.494 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.49 70.33 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.01 0.905 . . . . 0.0 110.658 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.6 m -65.3 -16.13 63.25 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.507 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.78 -19.35 16.76 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 117.026 -1.464 . . . . 0.0 113.733 175.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -77.61 -34.39 53.4 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.874 1.67 . . . . 0.0 110.283 164.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.12 -57.96 5.8 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -31.09 67.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.972 172.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.72 61.72 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.94 17.57 7.28 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.682 1.193 . . . . 0.0 112.806 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.65 12.94 7.96 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.285 0.634 . . . . 0.0 112.529 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.78 173.62 7.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.659 1.583 . . . . 0.0 108.536 170.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.4 p90 -152.47 155.76 33.03 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 172.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -70.95 158.58 55.02 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.26 1.973 . . . . 0.0 113.089 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.91 8.01 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.258 1.023 . . . . 0.0 110.473 162.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -136.27 159.61 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 124.963 1.305 . . . . 0.0 109.805 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG13 ' A' ' 63' ' ' ILE . 63.1 mt -129.46 91.35 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 176.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.94 -172.9 2.13 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 112.139 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.26 81.98 0.42 Allowed Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.056 159.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.48 -95.7 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -168.32 -7.9 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.587 1.555 . . . . 0.0 113.335 -172.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -125.27 6.11 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 112.833 -159.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 73.45 161.37 0.16 Allowed Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 127.248 2.219 . . . . 0.0 111.239 -164.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 1.9 Cg_endo -97.91 -166.39 0.09 OUTLIER 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.884 3.722 . . . . 0.0 112.283 -163.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.43 105.87 2.3 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 122.722 0.409 . . . . 0.0 110.213 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -81.2 136.98 35.9 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -142.51 122.63 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.37 1.468 . . . . 0.0 109.101 -168.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.38 120.09 19.47 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 131.011 3.724 . . . . 0.0 108.685 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.18 166.34 24.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.822 0.82 . . . . 0.0 112.383 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 132.0 40.98 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.232 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -66.18 -47.64 73.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.099 0.874 . . . . 0.0 109.5 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.87 -34.54 78.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.073 0.851 . . . . 0.0 111.675 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.69 -77.46 0.03 OUTLIER 'General case' 0 C--N 1.345 0.381 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.623 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.95 -26.09 23.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -167.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -48.4 -64.21 0.86 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.796 1.638 . . . . 0.0 108.694 170.402 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.79 -22.16 45.82 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.481 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.6 mmt -82.74 -70.96 0.51 Allowed 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -175.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.586 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -61.26 -7.46 2.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -62.26 -16.85 56.3 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.14 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 155.13 48.93 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.256 0.935 . . . . 0.0 112.976 -173.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.6 74.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.512 -167.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.8 -48.03 80.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 124.336 1.054 . . . . 0.0 108.178 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 2.9 t80 -50.81 -45.55 59.4 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.857 1.208 . . . . 0.0 111.325 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -36.14 73.76 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.797 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -86.28 -12.69 48.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.849 1.259 . . . . 0.0 112.633 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -131.54 122.96 27.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -165.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -46.67 142.18 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.307 1.043 . . . . 0.0 112.651 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.4 mt -116.94 161.36 19.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.415 1.486 . . . . 0.0 107.919 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.9 m -115.66 97.47 6.15 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.975 0.807 . . . . 0.0 109.197 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.581 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -76.06 105.09 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.14 84.62 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 40' ' ' ILE . 4.4 m -76.72 97.41 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 126.243 1.817 . . . . 0.0 106.938 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 57.41 25.98 11.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.336 0.654 . . . . 0.0 112.419 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.0 -3.76 35.7 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.857 1.218 . . . . 0.0 114.559 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -103.37 126.11 50.35 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 119.234 1.517 . . . . 0.0 108.501 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.23 109.05 21.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.076 0.55 . . . . 0.0 110.87 -159.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.94 128.06 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -171.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.6 mmtm -86.16 129.6 34.79 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.191 0.996 . . . . 0.0 111.016 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.535 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 19.1 m -153.06 160.94 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.582 1.953 . . . . 0.0 110.765 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.19 134.33 47.96 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 119.022 0.828 . . . . 0.0 109.129 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -58.62 132.86 55.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.388 0.675 . . . . 0.0 111.139 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -128.98 -24.13 2.96 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.101 0.876 . . . . 0.0 111.387 -170.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -161.16 103.15 1.27 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.799 HG12 HG23 ' A' ' 89' ' ' ILE . 18.4 m -91.83 133.8 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 163.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -107.5 102.85 12.08 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -68.39 162.3 25.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.095 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 158.68 85.76 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 122.664 0.385 . . . . 0.0 110.978 170.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.68 -24.57 4.14 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.569 2.846 . . . . 0.0 112.997 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -148.64 12.07 0.89 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -126.43 157.02 71.91 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 108.78 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -78.73 61.96 8.19 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.719 2.946 . . . . 0.0 109.123 166.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -133.78 -173.04 3.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.761 1.224 . . . . 0.0 109.255 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 89' ' ' ILE . 22.2 mt -131.0 127.5 38.47 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 125.727 1.611 . . . . 0.0 108.638 -174.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.03 -41.12 62.3 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.79 1.236 . . . . 0.0 110.006 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 177.41 159.7 0.42 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 125.851 1.66 . . . . 0.0 108.465 -165.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.799 HG23 HG12 ' A' ' 77' ' ' VAL . 89.4 mt -145.46 145.02 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.44 148.75 44.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 167.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.42 158.44 27.19 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.31 142.74 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 117.989 0.359 . . . . 0.0 110.087 175.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -52.63 93.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.248 0 C-N-CA 127.027 2.131 . . . . 0.0 111.153 -167.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 116.519 -1.705 . . . . 0.0 111.625 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-C2' 102.371 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 P-O3'-C3' 122.834 2.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 P-O3'-C3' 122.878 2.649 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.584 4.384 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 1 O4'-C1'-N19 114.543 6.343 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C5'-C4'-O4' 112.592 2.423 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C5'-C4'-C3' 111.725 -2.517 . 0.66 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.504 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.493 1 O4'-C1'-N19 113.303 5.103 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C4'-C3'-C2' 97.505 -5.195 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 0 N19-C1'-C2' 107.343 -3.786 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 O4'-C1'-N19 113.217 5.017 . 0.319 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 O4'-C1'-N19 111.125 2.925 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 111.081 2.881 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 O4'-C1'-N19 113.771 5.571 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.045 -2.97 . 0.05 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 1 O4'-C1'-N19 112.387 4.187 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 112.082 3.882 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.108 2 P-O3'-C3' 126.19 5.409 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 2 C5'-C4'-C3' 107.678 -5.215 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.026 2 O4'-C1'-N19 113.979 5.779 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.367 4 C3'-C2'-C1' 105.759 4.732 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C4'-C3'-C2' 99.923 -2.777 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O4'-C1'-N19 112.055 3.855 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 1 O4'-C1'-N19 114.137 5.937 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.607 0 P-O3'-C3' 122.645 2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.479 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.754 1 O4'-C1'-N19 113.14 4.94 . 0.488 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C5'-C4'-O4' 113.166 2.833 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.451 3.251 . 0.56 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 O4'-C1'-N19 111.747 3.547 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 112.017 3.817 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 113.193 4.993 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 1 O4'-C1'-N19 112.506 4.306 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 112.068 3.868 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.881 1 O4'-C1'-N19 113.033 4.833 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 110.533 2.333 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 1 O4'-C1'-N19 112.691 4.491 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.74 3.54 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 14.6 ptm . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.897 0.38 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 60.68 -77.66 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.413 1.485 . . . . 0.0 108.814 -159.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 62' ' ' THR . 24.1 m 59.63 97.48 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.501 2.721 . . . . 0.0 112.912 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -101.6 89.12 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -165.607 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.25 116.38 5.95 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -172.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.86 -161.18 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.458 1.503 . . . . 0.0 108.003 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.78 144.19 22.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 164.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.02 144.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.677 . . . . 0.0 110.401 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -139.81 156.1 46.92 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.289 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -137.84 -4.81 1.75 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 113.191 167.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.3 pm0 -66.96 15.74 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.564 2.745 . . . . 0.0 114.996 175.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -44.28 22.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.371 -173.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -19.99 -64.37 0.01 OUTLIER Glycine 0 C--N 1.343 0.946 0 C-N-CA 128.163 2.792 . . . . 0.0 112.844 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -159.74 -17.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.401 158.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.19 -43.97 97.89 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 124.818 1.199 . . . . 0.0 112.492 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -67.13 -44.45 79.81 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 173.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -62.73 -27.36 69.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.993 0.517 . . . . 0.0 111.927 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 -39.18 15.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 116.294 -1.812 . . . . 0.0 111.387 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -64.28 -33.94 76.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.635 2.016 . . . . 0.0 110.713 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.41 -65.98 0.61 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.605 1.162 . . . . 0.0 108.121 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -61.11 -26.91 68.0 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.877 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.86 -21.21 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.46 18.71 12.81 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.936 1.295 . . . . 0.0 112.031 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 65.0 11.55 7.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.549 0.739 . . . . 0.0 112.918 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mtmm -84.29 172.75 11.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 166.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 89' ' ' ILE . 1.3 p90 -152.5 154.82 32.3 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -70.14 154.89 65.83 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.054 1.836 . . . . 0.0 113.342 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.75 -179.04 5.96 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.922 0.889 . . . . 0.0 110.743 162.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tp -138.25 157.16 31.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 124.746 1.218 . . . . 0.0 110.159 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 63' ' ' ILE . 45.2 mt -127.77 100.08 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 -176.51 3.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -162.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' HA3' " O2'" ' B' ' 304' ' ' ' A' . . . 77.03 32.42 49.2 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.011 -1.09 . . . . 0.0 112.779 164.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.76 -97.4 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 tmmt? -178.14 -31.49 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.28 2.232 . . . . 0.0 109.317 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -86.98 -56.89 3.18 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.431 1.493 . . . . 0.0 109.834 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 171.44 164.13 0.23 Allowed Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 128.56 2.744 . . . . 0.0 108.567 -168.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 4.3 Cg_endo -94.84 -166.04 0.12 Allowed 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 124.907 3.738 . . . . 0.0 112.168 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.49 102.05 2.22 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.315 1.046 . . . . 0.0 110.06 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 139.41 47.07 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -136.52 140.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -177.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 6.2 tt0 -93.55 108.39 20.1 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 129.648 3.179 . . . . 0.0 107.293 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -130.48 164.73 24.18 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.586 0.707 . . . . 0.0 111.878 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.62 136.23 40.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.598 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.59 -50.76 23.21 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.485 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -22.91 61.36 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.718 0.69 . . . . 0.0 111.577 -170.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.78 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.09 1.756 . . . . 0.0 107.82 159.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -56.79 -26.57 24.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 tpt -50.13 -62.5 1.54 Allowed 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.132 1.773 . . . . 0.0 108.885 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -57.12 -21.24 30.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.353 0.979 . . . . 0.0 113.592 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -82.99 -68.72 0.68 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 118.468 -0.777 . . . . 0.0 108.907 -174.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.518 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -61.76 -6.96 2.98 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.517 1.053 . . . . 0.0 113.759 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.85 -3.55 22.95 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 125.477 1.511 . . . . 0.0 112.54 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.53 34.05 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.379 1.445 . . . . 0.0 110.166 163.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.23 60.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -57.03 -21.87 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.652 1.581 . . . . 0.0 111.636 171.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 54.8 t80 -69.53 -51.5 35.05 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 121.21 -0.931 . . . . 0.0 112.248 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.19 -30.15 31.06 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.685 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -83.49 -21.88 32.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.602 1.161 . . . . 0.0 111.754 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.44 127.66 33.82 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -174.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.9 p -52.35 145.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.426 1.491 . . . . 0.0 112.243 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 9.2 mt -113.26 164.11 13.96 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.955 1.702 . . . . 0.0 107.919 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.452 ' HB ' HG23 ' A' ' 3' ' ' THR . 3.8 m -118.34 98.22 6.17 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.179 0.445 . . . . 0.0 110.822 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 30' ' ' ILE . 3.7 mm -74.17 105.98 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.765 HG22 ' HG2' ' A' ' 69' ' ' GLU . 39.4 t -84.17 82.05 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG22 HD13 ' A' ' 70' ' ' ILE . 13.8 m -73.06 98.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 125.149 1.38 . . . . 0.0 108.359 177.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.01 26.37 9.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.142 0.977 . . . . 0.0 112.52 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.31 -5.35 30.04 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.987 1.28 . . . . 0.0 114.538 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.07 117.06 33.74 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 119.366 1.583 . . . . 0.0 108.386 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 64' ' ' VAL . 28.8 mt-10 -82.5 117.86 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.839 1.256 . . . . 0.0 113.025 -174.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -118.35 128.85 75.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.7 mmtm -86.65 124.4 32.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 123.223 0.609 . . . . 0.0 110.604 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 28.2 m -153.76 162.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 C-N-CA 125.008 1.323 . . . . 0.0 112.454 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 139.54 23.24 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.568 0.747 . . . . 0.0 109.098 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.61 155.61 7.25 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -166.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -131.94 -43.81 0.97 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.761 0.824 . . . . 0.0 111.776 167.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.12 88.94 1.83 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 -173.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 89' ' ' ILE . 20.8 m -82.9 135.39 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 158.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.23 114.51 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 -177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -78.31 159.8 28.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.103 0.561 . . . . 0.0 109.58 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.17 160.5 64.01 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 123.339 0.656 . . . . 0.0 110.653 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.01 -18.49 11.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.836 2.357 . . . . 0.0 113.321 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -144.92 -39.68 0.26 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 119.098 0.863 . . . . 0.0 112.22 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -75.48 156.42 85.2 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.236 1.014 . . . . 0.0 109.936 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -80.11 66.15 8.83 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.717 2.944 . . . . 0.0 109.872 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -137.27 -169.29 2.47 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.052 1.341 . . . . 0.0 109.97 -174.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 9.0 mt -129.76 142.51 50.68 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.528 1.931 . . . . 0.0 108.206 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.53 -34.0 12.84 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.37 1.068 . . . . 0.0 110.841 172.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -175.2 157.03 2.18 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.971 1.309 . . . . 0.0 109.45 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 92.1 mt -144.43 148.79 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -124.47 160.31 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.714 164.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.44 145.91 52.01 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -94.27 147.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 174.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -57.26 96.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.828 2.051 . . . . 0.0 110.311 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.341 168.472 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C5'-C4'-C3' 111.768 -2.488 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . 0.41 " H3'" H5'' ' B' ' 269' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.362 1 C4'-C3'-O3' 121.845 4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . 0.41 H5'' " H3'" ' B' ' 268' ' ' ' G' . . . . . . . . 0 P--O5' 1.622 2.86 2 O5'-C5'-C4' 119.132 6.38 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 1 O4'-C1'-N19 113.066 4.866 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 1 O4'-C1'-N19 114.74 6.54 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 C5'-C4'-O4' 112.719 2.514 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 O4'-C1'-N19 110.833 2.633 . 0.372 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.515 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.473 1 O4'-C1'-N19 112.709 4.509 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 2 P-O3'-C3' 125.928 5.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.417 0 N19-C1'-C2' 107.356 -3.777 . 0.362 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 1 O4'-C1'-N19 112.338 4.138 . 0.545 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.58 3.38 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.585 3.385 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 O4'-C1'-N19 114.201 6.001 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C5'-C4'-C3' 110.39 -3.407 . 0.07 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 O4'-C1'-N19 112.049 3.849 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.462 4.262 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 110.525 2.325 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . 0.407 " H3'" H5'' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 O4'-C1'-N19 112.582 4.382 . 0.493 1z . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . 0.407 H5'' " H3'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.72 1 O4'-C1'-N19 112.296 4.096 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.943 2 P-O3'-C3' 126.654 5.795 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.909 2 O4'-C1'-N19 113.22 5.02 . 0.018 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.973 3.773 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 1 O4'-C1'-N19 113.979 5.779 . 0.893 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.434 -2.71 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 1 O4'-C1'-N19 112.794 4.594 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-O4' 113.142 2.816 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 O4'-C1'-N19 111.741 3.541 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.488 3.288 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 O4'-C1'-N19 111.969 3.769 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 O4'-C1'-N19 112.515 4.315 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 1 O4'-C1'-N19 112.366 4.166 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . 0.43 " O2'" ' HA3' ' A' ' 32' ' ' GLY . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 C4'-C3'-C2' 97.769 -4.931 . 0.863 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 O4'-C1'-N19 111.308 3.108 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 P-O3'-C3' 122.806 2.589 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 112.2 4.0 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.871 1 O4'-C1'-N19 112.432 4.232 . 0.862 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.06 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.96 1.304 . . . . 0.0 110.618 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m 57.82 103.54 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.737 2.415 . . . . 0.0 114.209 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.454 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.22 85.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 123.91 0.884 . . . . 0.0 109.126 -170.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.503 HD22 ' HB ' ' A' ' 64' ' ' VAL . 3.1 m120 -59.64 120.23 9.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.738 0.815 . . . . 0.0 109.522 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.15 -161.66 1.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.058 1.343 . . . . 0.0 108.597 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -155.23 143.72 20.42 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.816 2.046 . . . . 0.0 105.699 165.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -64.59 142.42 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.875 -0.516 . . . . 0.0 110.75 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.46 155.39 50.07 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.927 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -134.91 -1.97 2.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.351 1.46 . . . . 0.0 112.904 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.72 14.13 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.478 2.311 . . . . 0.0 114.49 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -39.47 19.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -166.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.8 3.84 0.01 OUTLIER Glycine 0 CA--C 1.54 1.606 0 C-N-CA 128.723 3.059 . . . . 0.0 119.696 -166.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 139.71 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.559 1 C-N-CA 136.445 5.898 . . . . 0.0 108.405 172.27 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.98 -53.09 10.87 Favored Glycine 0 C--N 1.344 0.991 0 C-N-CA 125.831 1.682 . . . . 0.0 112.392 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.69 -52.33 52.33 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.43 1.092 . . . . 0.0 111.066 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -59.3 -21.89 60.38 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.122 0.569 . . . . 0.0 112.257 -166.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -34.07 13.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.519 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.95 -35.28 79.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 122.205 2.275 . . . . 0.0 110.431 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -56.59 16.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.101 0.961 . . . . 0.0 108.588 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -56.78 -28.07 60.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 113.033 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 -12.13 59.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.56 -86.97 0.4 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 165.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.83 9.46 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.391 1.877 . . . . 0.0 111.715 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -91.68 176.07 6.67 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.867 1.667 . . . . 0.0 108.666 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.1 p90 -159.64 153.34 19.2 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 174.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.55 158.83 36.01 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.228 1.285 . . . . 0.0 112.703 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.61 177.98 7.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.387 1.075 . . . . 0.0 110.071 165.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 37' ' ' PRO . 11.1 tp -132.87 148.45 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.163 1.385 . . . . 0.0 109.948 171.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.929 HD11 HG13 ' A' ' 63' ' ' ILE . 38.6 mt -116.74 80.21 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 175.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.96 -165.98 1.39 Allowed 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.03 -172.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.68 53.86 14.59 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 165.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.34 -102.76 2.67 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -177.13 -38.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.902 1.681 . . . . 0.0 109.844 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -87.59 -71.23 0.58 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . . . -170.74 167.55 4.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.767 1.227 . . . . 0.0 112.285 173.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB2' HD11 ' A' ' 29' ' ' ILE . 87.7 Cg_exo -72.88 -166.03 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.726 1 C-N-CA 126.109 4.539 . . . . 0.0 117.82 -178.043 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.52 104.83 2.4 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.856 1.662 . . . . 0.0 108.959 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.48 139.13 45.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.77 141.14 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 125.576 1.55 . . . . 0.0 107.449 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -92.2 115.59 28.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.241 2.616 . . . . 0.0 108.862 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.44 167.46 20.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.411 0.624 . . . . 0.0 112.296 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 130.73 38.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.378 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -64.46 -51.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.946 0.779 . . . . 0.0 110.476 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.21 -34.96 75.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.149 0.431 . . . . 0.0 111.582 -172.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -62.42 -75.28 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.5 p -55.86 -26.24 20.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 tpp -51.43 -63.02 1.27 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.11 1.364 . . . . 0.0 109.557 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.51 -16.75 40.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.3 -67.51 0.78 Allowed 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.61 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.0 -8.51 3.27 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.633 1.106 . . . . 0.0 113.661 176.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.34 -7.99 22.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-O 117.18 -1.391 . . . . 0.0 111.077 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 158.69 38.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 110.837 170.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.56 61.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.32 -19.55 35.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.525 1.93 . . . . 0.0 111.57 173.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 57.1 t80 -70.89 -51.73 24.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 120.989 -1.069 . . . . 0.0 111.882 176.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -80.24 -29.34 38.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.319 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -78.18 -37.43 45.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 110.814 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.6 126.88 47.42 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -168.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.559 1.544 . . . . 0.0 113.447 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.2 mt -114.91 155.53 26.7 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.45 1.5 . . . . 0.0 108.527 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -112.69 97.45 6.58 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.141 0.882 . . . . 0.0 109.997 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.929 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -74.18 111.5 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 120.939 -1.101 . . . . 0.0 108.918 177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' HD22 ' A' ' 5' ' ' ASN . 41.3 t -93.26 84.84 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 70' ' ' ILE . 17.2 m -76.09 97.64 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.627 1.571 . . . . 0.0 107.492 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.99 29.15 15.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.069 0.548 . . . . 0.0 111.968 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.96 -4.13 45.39 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.468 -1.185 . . . . 0.0 114.271 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 125.23 48.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 119.321 1.56 . . . . 0.0 109.26 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.6 109.28 21.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.193 0.997 . . . . 0.0 110.96 -161.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.95 126.85 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -85.97 124.52 32.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.053 0.541 . . . . 0.0 109.901 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 70' ' ' ILE . 32.9 m -150.33 159.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 O-C-N 124.323 1.014 . . . . 0.0 113.201 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -131.47 132.31 44.17 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.668 0.787 . . . . 0.0 109.616 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -67.49 133.14 48.95 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 124.193 0.933 . . . . 0.0 110.835 -176.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -132.02 -18.61 2.63 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.132 0.973 . . . . 0.0 112.424 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.62 94.39 1.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 HG23 ' A' ' 89' ' ' ILE . 34.6 m -88.64 135.71 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 161.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.44 172.89 8.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.052 1.741 . . . . 0.0 107.548 170.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 164.97 31.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.073 0.949 . . . . 0.0 109.773 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.7 164.28 32.44 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.108 159.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -87.78 -16.07 3.07 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.628 2.885 . . . . 0.0 113.657 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -134.61 -6.77 2.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.971 1.309 . . . . 0.0 112.648 -170.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -144.99 166.75 16.79 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 128.431 2.692 . . . . 0.0 106.03 166.643 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.26 10.72 2.61 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 CA-C-N 120.923 1.365 . . . . 0.0 112.825 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -53.53 99.57 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 C-N-CA 127.544 2.337 . . . . 0.0 112.085 -168.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.752 HD13 HD11 ' A' ' 89' ' ' ILE . 14.7 mt -62.73 108.96 1.27 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 127.071 2.148 . . . . 0.0 108.281 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -75.66 -24.99 56.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.741 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -174.66 157.47 2.55 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.169 0.988 . . . . 0.0 110.888 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.752 HD11 HD13 ' A' ' 86' ' ' LEU . 81.4 mt -146.46 150.29 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.35 1.46 . . . . 0.0 108.107 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 m-20 -131.04 126.56 36.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.897 1.679 . . . . 0.0 107.539 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.55 132.06 53.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.389 1.076 . . . . 0.0 108.82 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.58 157.21 3.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.989 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -67.96 90.14 0.3 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.951 0.901 . . . . 0.0 109.812 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.63 -0.7 . . . . 0.0 112.187 173.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 100.916 -1.784 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.79 0 C4'-C3'-C2' 99.848 -2.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O4'-C1'-N19 111.385 3.185 . 0.364 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 113.064 4.864 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 O4'-C1'-N19 114.349 6.149 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C5'-C4'-O4' 112.428 2.305 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 111.051 2.851 . 0.344 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.476 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.424 1 O4'-C1'-N19 113.511 5.311 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 2 C4'-C3'-C2' 97.366 -5.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 2 N19-C1'-C2' 106.89 -4.069 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 2 O4'-C1'-N19 113.349 5.149 . 0.107 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . 0.422 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.184 2.984 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . 0.42 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.44 3.24 . 0.488 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 O4'-C1'-N19 113.975 5.775 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C5'-C4'-C3' 110.429 -3.381 . 0.018 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 O4'-C1'-N19 112.275 4.075 . 0.194 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.295 4.095 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.395 1 O4'-C1'-N19 113.782 5.582 . 0.029 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . 0.463 " H2'" ' C5 ' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 O4'-C1'-N19 114.678 6.478 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . 0.463 ' C5 ' " H2'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 O5'-C5'-C4' 117.133 4.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 P-O3'-C3' 123.901 3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 1 O4'-C1'-N19 113.999 5.799 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 112.096 3.896 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 1 O4'-C1'-N19 114.415 6.215 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C1'-O4'-C4' 112.193 2.881 . 0.039 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.515 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 112.694 4.494 . 0.425 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C4'-C3'-C2' 99.362 -3.338 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . 0.422 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O3'-P-O5' 97.973 -3.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 O4'-C1'-N19 112.225 4.025 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.924 3.724 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 1 O4'-C1'-N19 113.012 4.812 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 1 O4'-C1'-N19 112.671 4.471 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 0 C4'-C3'-C2' 99.589 -3.111 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.036 1 O4'-C1'-N19 112.483 4.283 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.943 2.743 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . 0.499 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.418 1 O4'-C1'-N19 114.533 6.333 OUTLIER-EPSILON 0.529 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.918 4 P-O3'-C3' 126.245 5.454 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 5.2 tpt . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -61.33 -62.44 1.83 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.469 1.108 . . . . 0.0 110.522 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 63.26 98.5 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.235 2.214 . . . . 0.0 114.154 168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.56 84.16 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -167.086 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -58.11 109.27 0.72 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.54 -161.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 107.41 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.54 138.27 11.96 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.0 m -62.45 132.62 28.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.614 -0.679 . . . . 0.0 110.607 -177.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -131.72 150.1 52.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.043 179.366 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.7 mmpt? -137.09 -3.54 1.98 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.372 1.869 . . . . 0.0 113.186 173.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.45 14.07 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.723 2.409 . . . . 0.0 115.039 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -53.55 8.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.898 1.279 . . . . 0.0 114.099 -164.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -5.21 -71.41 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 C-N-CA 130.146 3.736 . . . . 0.0 114.38 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -163.87 -11.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.019 0.928 . . . . 0.0 110.517 158.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -29.99 75.71 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 125.025 1.297 . . . . 0.0 113.061 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.24 -45.83 53.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.68 -0.894 . . . . 0.0 110.746 167.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -60.28 -22.28 62.93 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.52 -40.08 14.6 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 127.523 2.329 . . . . 0.0 112.09 173.306 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -34.79 76.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 122.015 2.189 . . . . 0.0 111.047 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -54.31 10.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.27 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.25 -28.56 66.82 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.804 0.729 . . . . 0.0 112.302 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.95 -15.4 61.12 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.01 17.22 10.88 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.94 1.296 . . . . 0.0 112.326 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 64.43 13.35 8.05 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.7 mtmm -91.95 175.83 6.73 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.806 1.642 . . . . 0.0 107.463 171.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -160.49 152.81 17.18 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -71.95 155.58 57.37 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.814 1.676 . . . . 0.0 112.874 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.16 178.48 7.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.676 1.191 . . . . 0.0 110.442 163.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -136.91 159.48 36.98 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 C-N-CA 124.538 1.135 . . . . 0.0 109.822 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.71 94.26 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.9 -174.37 2.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -165.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 24.68 59.04 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.366 161.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 -99.34 0.35 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.18 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 126.316 1.846 . . . . 0.0 109.607 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.03 -47.88 48.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.8 1.24 . . . . 0.0 110.307 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 161.7 166.25 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 128.109 2.564 . . . . 0.0 109.282 -160.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 0.9 OUTLIER -94.66 -161.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.836 1 C-N-CA 125.346 4.031 . . . . 0.0 111.553 177.003 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -160.2 105.65 1.52 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.491 1.116 . . . . 0.0 109.753 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -78.39 137.24 37.91 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.745 -0.597 . . . . 0.0 109.408 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -142.86 123.94 11.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.753 1.621 . . . . 0.0 108.045 -170.137 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 11.6 tt0 -79.89 113.0 17.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 129.563 3.145 . . . . 0.0 108.76 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.05 166.67 17.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.463 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.33 138.2 40.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.855 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.44 -52.09 13.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.915 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -23.08 62.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.736 0.698 . . . . 0.0 111.274 -171.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -56.91 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.194 1.798 . . . . 0.0 107.657 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -57.6 -26.11 26.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 119.937 1.244 . . . . 0.0 114.011 -170.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -58.58 6.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.31 1.444 . . . . 0.0 108.735 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.21 -23.01 63.69 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmt -81.62 -67.25 0.8 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.04 -17.93 3.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.179 2.192 . . . . 0.0 112.803 174.084 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.95 -3.85 14.43 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 125.675 1.59 . . . . 0.0 112.574 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.7 38.69 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 119.983 1.265 . . . . 0.0 109.865 164.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 -21.97 59.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.239 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.81 -19.06 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 111.779 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 64.2 t80 -69.98 -54.98 10.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.053 -1.029 . . . . 0.0 111.791 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -77.24 -32.9 56.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.687 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -73.24 -40.17 64.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.619 1.168 . . . . 0.0 110.526 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.49 119.25 28.6 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.69 145.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 126.281 1.832 . . . . 0.0 112.858 -167.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 44.8 mt -107.53 154.67 21.05 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.844 1.658 . . . . 0.0 108.19 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.8 m -111.84 88.07 2.71 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.2 mp -70.14 110.59 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 O-C-N 120.798 -1.189 . . . . 0.0 110.359 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.03 86.49 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 125.55 1.54 . . . . 0.0 107.438 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 40' ' ' ILE . 5.0 m -75.75 95.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.489 1.915 . . . . 0.0 107.76 -177.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 57.25 26.21 12.01 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.844 0.857 . . . . 0.0 112.423 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.01 -6.69 30.9 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.982 1.277 . . . . 0.0 114.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -99.29 124.71 44.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 119.122 1.461 . . . . 0.0 108.569 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -98.69 110.29 22.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.033 0.533 . . . . 0.0 111.005 -161.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.446 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.11 127.26 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.408 0.683 . . . . 0.0 109.185 -169.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -85.61 123.34 30.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.194 0.998 . . . . 0.0 110.672 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' CG2' HD13 ' A' ' 63' ' ' ILE . 26.9 m -152.24 159.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 125.036 1.334 . . . . 0.0 113.299 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -132.29 136.75 47.13 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.383 1.073 . . . . 0.0 110.74 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.02 57.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.831 0.707 . . . . 0.0 112.415 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.19 -32.22 3.0 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.961 0.788 . . . . 0.0 112.565 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 96.24 2.49 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 126.389 1.876 . . . . 0.0 106.561 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 89' ' ' ILE . 30.4 m -82.93 145.66 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 158.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -124.31 115.61 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.488 1.915 . . . . 0.0 105.939 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -74.77 165.07 25.83 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.021 0.529 . . . . 0.0 110.538 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 160.27 69.66 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.339 0.656 . . . . 0.0 110.761 169.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -81.5 -7.04 12.74 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.19 2.593 . . . . 0.0 113.67 -172.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -146.73 -57.79 0.28 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.606 1.093 . . . . 0.0 111.825 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 16.5 ptmt -77.0 158.21 80.46 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.051 1.74 . . . . 0.0 109.524 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.5 18.54 0.69 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.783 2.989 . . . . 0.0 114.552 -170.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 70.3 mmtt -77.56 -164.07 0.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.057 1.743 . . . . 0.0 111.178 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -128.79 139.15 52.32 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.984 2.114 . . . . 0.0 108.06 -178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -36.98 16.6 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.276 1.03 . . . . 0.0 110.632 170.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -173.15 156.74 3.28 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.452 1.101 . . . . 0.0 109.319 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.693 HD11 HD13 ' A' ' 86' ' ' LEU . 83.3 mt -145.78 149.03 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -119.94 161.33 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.602 164.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.58 157.27 43.16 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 165.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.49 150.96 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -58.45 91.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.792 2.037 . . . . 0.0 110.753 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.043 0.937 . . . . 0.0 111.438 169.326 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 1 O4'-C1'-N19 113.45 5.25 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 110.529 2.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.324 3.124 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 O4'-C1'-N19 113.242 5.042 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 1 O4'-C1'-N19 114.558 6.358 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C5'-C4'-O4' 113.095 2.782 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 P-O3'-C3' 124.697 4.165 . 0.121 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.531 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.602 1 O4'-C1'-N19 112.544 4.344 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 P-O3'-C3' 126.496 5.663 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.426 0 N19-C1'-C2' 107.526 -3.671 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 2 O4'-C1'-N19 112.57 4.37 . 0.891 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.386 3.186 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.187 2.987 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 114.059 5.859 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 110.141 -3.573 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 O4'-C1'-N19 112.465 4.265 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 1 O4'-C1'-N19 114.037 5.837 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 O5'-C5'-C4' 114.33 2.95 . 0.611 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.149 2 O4'-C1'-N19 112.666 4.466 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 O4'-C1'-N19 112.153 3.953 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.345 3 P-O3'-C3' 127.352 6.377 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.916 4.716 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C1'-N19 111.937 3.737 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 1 O4'-C1'-N19 113.662 5.462 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 C5'-C4'-C3' 110.279 -3.481 . 0.2 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.743 1 O4'-C1'-N19 113.044 4.844 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C5'-C4'-O4' 113.262 2.901 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 O4'-C1'-N19 112.004 3.804 OUTLIER-DELTA 0.116 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.845 3.645 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 112.14 3.94 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 112.067 3.867 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 O4'-C1'-N19 112.016 3.816 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 C4'-C3'-C2' 98.337 -4.363 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.834 0 O4'-C1'-N19 112.164 3.964 . 0.086 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 P-O3'-C3' 122.613 2.428 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 112.015 3.815 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.347 3.147 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 3.5 ptm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.675 0.274 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 47.61 42.91 15.77 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 120.103 -1.623 . . . . 0.0 110.829 -162.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 10.1 m -81.3 129.39 34.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 128.059 2.543 . . . . 0.0 108.578 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.85 77.91 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -170.402 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -56.88 109.61 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.693 1.197 . . . . 0.0 108.648 -175.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.34 -162.34 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.12 1.368 . . . . 0.0 107.398 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -151.56 147.09 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 104.389 -2.448 . . . . 0.0 104.389 164.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.86 144.22 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.433 0.635 . . . . 0.0 110.467 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -136.28 153.97 51.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.933 174.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.6 mmpt? -135.97 1.83 2.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 112.256 166.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 10.36 0.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.813 2.445 . . . . 0.0 114.798 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.59 -56.53 5.05 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.72 1.608 . . . . 0.0 113.939 -159.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -16.2 -66.1 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.285 3.326 . . . . 0.0 114.351 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' H41' ' B' ' 297' ' ' ' C' . 0.1 OUTLIER -157.52 -11.06 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.816 158.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.34 69.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.558 1.075 . . . . 0.0 112.966 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -79.51 -56.6 4.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.857 0.863 . . . . 0.0 111.238 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.5 m -63.84 -17.31 63.01 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.322 -0.861 . . . . 0.0 112.433 -170.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -76.53 -52.73 9.2 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.253 167.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -65.94 -41.06 91.8 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.06 1.755 . . . . 0.0 109.671 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -59.82 -61.6 2.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.854 1.261 . . . . 0.0 111.335 176.066 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -24.16 67.65 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.217 0.917 . . . . 0.0 112.091 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 -16.16 61.45 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.6 18.67 8.06 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 125.546 1.538 . . . . 0.0 112.478 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.01 9.34 6.1 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -85.61 176.49 8.16 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 108.392 167.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -158.4 152.9 20.46 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -71.91 156.43 56.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 113.047 -175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.75 -178.73 5.55 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.715 1.206 . . . . 0.0 110.581 162.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.7 tp -136.94 157.36 35.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 C-N-CA 124.574 1.15 . . . . 0.0 110.114 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.808 HD11 HG13 ' A' ' 63' ' ' ILE . 56.8 mt -125.2 86.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 5.2 p90 -93.29 -179.48 5.08 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.975 0.51 . . . . 0.0 112.323 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.02 -3.86 0.08 OUTLIER Glycine 0 N--CA 1.47 0.906 0 N-CA-C 116.623 1.409 . . . . 0.0 116.623 -172.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.14 72.29 0.22 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 127.745 2.593 . . . . 0.0 115.35 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -146.7 -46.07 0.18 Allowed 'General case' 0 C--N 1.342 0.257 0 C-N-CA 125.313 1.445 . . . . 0.0 111.603 163.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -119.02 8.4 11.6 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.711 1.204 . . . . 0.0 111.765 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 66.66 164.92 0.12 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.073 1.749 . . . . 0.0 110.107 -158.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 9.1 Cg_endo -92.47 -169.11 0.24 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.088 2.525 . . . . 0.0 112.19 -165.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tp -148.81 101.77 3.22 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.005 0.522 . . . . 0.0 110.016 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 135.33 46.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.78 138.72 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 -177.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -85.56 115.96 23.58 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.071 2.149 . . . . 0.0 109.389 169.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -130.91 166.44 20.91 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.333 0.653 . . . . 0.0 111.201 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 131.44 40.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.506 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -66.71 -48.8 68.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.713 0.633 . . . . 0.0 109.616 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.38 -31.1 70.23 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.52 0.6 . . . . 0.0 111.181 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' ILE . 22.6 ttmt -58.85 -76.76 0.04 OUTLIER 'General case' 0 C--N 1.348 0.527 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 165.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 1.9 p -56.65 -26.72 24.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -166.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -60.24 3.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.799 1.639 . . . . 0.0 108.794 171.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.09 -22.87 63.3 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -83.01 -66.16 0.92 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -173.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.67 -18.08 4.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.11 2.164 . . . . 0.0 112.687 173.332 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.86 -2.85 13.44 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.468 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.65 158.11 37.2 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.799 1.636 . . . . 0.0 110.296 163.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.67 62.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.381 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.04 -18.16 32.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.221 1.408 . . . . 0.0 112.029 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 73.1 t80 -74.23 -53.37 9.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 120.98 -1.075 . . . . 0.0 112.05 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -78.64 -27.09 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.044 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -77.27 -48.9 16.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.917 1.287 . . . . 0.0 110.373 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.22 126.86 54.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -165.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.29 143.18 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.135 1.374 . . . . 0.0 112.436 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 24.9 mt -105.72 147.98 27.95 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 125.459 1.504 . . . . 0.0 108.088 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 16.5 m -106.98 100.56 10.05 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.808 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.35 108.15 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.731 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 5' ' ' ASN . 45.3 t -93.27 83.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 70' ' ' ILE . 16.0 m -72.77 94.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.558 1.543 . . . . 0.0 108.185 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 56.16 26.09 9.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.11 0.964 . . . . 0.0 112.443 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.31 25.76 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.853 1.216 . . . . 0.0 114.531 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -97.2 123.29 40.93 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.286 1.543 . . . . 0.0 108.544 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -96.93 111.71 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.442 0.697 . . . . 0.0 111.17 -164.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.69 124.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -170.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 9.8 mmtm -86.02 125.51 33.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 111.045 177.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 70' ' ' ILE . 22.7 m -152.72 159.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 C-N-CA 124.656 1.182 . . . . 0.0 112.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -132.0 135.9 46.89 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.139 0.976 . . . . 0.0 109.642 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 136.04 54.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.939 0.775 . . . . 0.0 111.523 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -118.66 -40.53 2.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.317 1.047 . . . . 0.0 110.863 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -151.8 98.55 2.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 89' ' ' ILE . 35.2 m -76.88 145.55 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 161.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -119.03 111.28 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -78.99 164.04 24.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 110.243 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 160.78 77.78 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 123.001 0.52 . . . . 0.0 111.546 169.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -84.65 -11.1 8.21 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.441 2.76 . . . . 0.0 113.99 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -137.9 -56.25 0.67 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 120.258 1.39 . . . . 0.0 110.966 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -81.8 162.63 57.02 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.373 1.469 . . . . 0.0 109.966 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.38 19.48 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.645 2.897 . . . . 0.0 113.814 -172.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -75.13 -169.98 1.05 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.496 1.518 . . . . 0.0 111.061 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 11.0 mt -122.94 148.25 45.69 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.522 1.929 . . . . 0.0 108.07 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -101.81 -31.86 10.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.926 1.29 . . . . 0.0 110.995 170.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -175.73 158.99 2.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.157 1.383 . . . . 0.0 109.058 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -145.23 150.39 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -123.27 156.28 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.712 0.805 . . . . 0.0 108.845 167.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.53 150.57 52.14 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.521 1.529 . . . . 0.0 107.198 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 m -102.54 148.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -57.1 95.22 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.433 1.493 . . . . 0.0 110.262 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.799 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 1 O4'-C1'-N19 114.336 6.136 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 P-O3'-C3' 122.58 2.4 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.904 2.704 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 113.543 5.343 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 116.255 8.055 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 2 O5'-C5'-C4' 117.195 4.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 P-O3'-C3' 124.426 3.938 . 0.01 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 274' ' ' ' U' . . . . . 0.504 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.451 1 O4'-C1'-N19 113.519 5.319 . 0.445 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 C4'-C3'-C2' 98.51 -4.19 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.557 0 C3'-C2'-C1' 104.408 3.231 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 P-O3'-C3' 124.531 4.026 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.914 3.714 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 O4'-C1'-N19 111.91 3.71 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 114.656 6.456 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 C5'-C4'-C3' 109.272 -4.152 . 0.113 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 O4'-C1'-N19 112.114 3.914 . 0.24 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 1 O4'-C1'-N19 112.242 4.042 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 P-O3'-C3' 122.541 2.368 . 0.628 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 285' ' ' ' U' . . . . . 0.429 " H3'" H5'' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 O4'-C1'-N19 112.038 3.838 . 0.499 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 291' ' ' ' C' . . . . . 0.429 H5'' " H3'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 112.16 3.96 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 2 P-O3'-C3' 126.655 5.796 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.691 2 O4'-C1'-N19 112.763 4.563 . 0.051 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 O4'-C1'-N19 111.573 3.373 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 1 O4'-C1'-N19 113.787 5.587 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C5'-C4'-C3' 110.737 -3.175 . 0.144 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 297' ' ' ' C' . . . . . 0.476 ' H41' ' HB2' ' A' ' 14' ' ' LYS . . . . . . . . 0 P--O5' 1.62 2.716 1 O4'-C1'-N19 113.331 5.131 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 113.352 2.966 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C5'-C4'-C3' 110.887 -3.076 . 0.373 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 O4'-C1'-N19 111.472 3.272 . 0.113 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.888 3.688 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 112.892 4.692 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.714 4.514 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C4'-C3'-C2' 99.019 -3.681 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 0 O4'-C1'-N19 111.768 3.568 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.586 2.386 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.658 3.458 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 O4'-C1'-N19 111.495 3.295 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.422 HG23 ' HB ' ' A' ' 62' ' ' THR . 9.0 m 54.27 103.29 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.138 2.575 . . . . 0.0 114.586 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.73 86.02 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -169.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.99 119.43 8.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.29 -162.2 1.05 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.439 1.496 . . . . 0.0 108.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -156.33 140.6 16.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.488 2.315 . . . . 0.0 105.27 168.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.9 m -64.48 142.17 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.483 -0.761 . . . . 0.0 111.414 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.13 151.94 39.26 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -133.5 -3.31 3.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.285 1.834 . . . . 0.0 113.638 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.94 13.63 0.37 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.799 2.04 . . . . 0.0 114.797 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -32.73 9.52 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -172.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.38 -5.37 0.07 OUTLIER Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.097 2.284 . . . . 0.0 118.112 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp 144.16 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 133.986 4.914 . . . . 0.0 110.941 166.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.96 74.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.257 0.932 . . . . 0.0 112.539 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -68.51 -47.76 66.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.203 1.001 . . . . 0.0 110.063 173.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -24.6 65.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.831 -0.543 . . . . 0.0 111.551 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -23.68 17.96 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 116.35 -1.786 . . . . 0.0 113.899 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.99 -41.32 17.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 121.416 1.916 . . . . 0.0 109.743 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.17 -56.16 21.52 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.721 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -27.61 67.23 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 118.894 0.77 . . . . 0.0 112.262 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.61 63.06 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.23 16.27 7.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.294 1.038 . . . . 0.0 113.14 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.34 14.68 8.07 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -83.52 176.5 9.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 162.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -164.4 129.88 2.08 Favored Pre-proline 0 N--CA 1.447 -0.614 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -159.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -70.57 156.9 60.3 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.675 1.584 . . . . 0.0 113.042 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.39 -178.79 6.15 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.182 1.393 . . . . 0.0 111.078 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 37' ' ' PRO . 8.6 tp -139.75 161.26 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.208 1.403 . . . . 0.0 110.274 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.793 HD11 HG13 ' A' ' 63' ' ' ILE . 52.5 mt -131.74 92.56 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.806 2.042 . . . . 0.0 105.586 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD1' HG12 ' A' ' 92' ' ' VAL . 3.7 p90 . . . . . 0 C--N 1.342 0.261 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.3 Cg_exo . . . . . 0 CA--C 1.535 0.538 0 N-CA-C 116.282 1.608 . . . . 0.0 116.282 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.9 107.6 2.98 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.348 1.059 . . . . 0.0 110.557 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.24 138.46 41.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.428 0.291 . . . . 0.0 110.544 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.456 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.27 132.91 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 126.335 1.854 . . . . 0.0 107.76 -175.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.64 121.78 27.71 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 128.145 2.578 . . . . 0.0 108.568 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -137.44 170.39 16.16 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.741 0.782 . . . . 0.0 111.267 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 7.0 t70 -74.67 130.3 39.28 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.235 1.414 . . . . 0.0 109.724 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.9 -50.84 63.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.346 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.76 -28.61 67.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.516 0.598 . . . . 0.0 111.714 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 50' ' ' MET . 21.9 ttmm -59.43 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.147 162.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.34 -27.72 17.49 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 119.68 1.127 . . . . 0.0 113.884 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 tpt -47.01 -65.1 0.62 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 126.191 1.796 . . . . 0.0 110.178 165.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -55.02 -23.1 17.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.851 1.205 . . . . 0.0 114.127 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.1 mmm -84.99 -65.27 1.03 Allowed 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -170.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.63 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.4 pp0? -61.52 -7.8 3.58 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 120.194 1.361 . . . . 0.0 114.113 173.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -2.43 24.81 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 125.657 1.583 . . . . 0.0 112.503 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 157.9 31.98 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.944 1.247 . . . . 0.0 109.615 160.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -25.26 59.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -52.9 -25.64 12.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.73 2.012 . . . . 0.0 111.578 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 34.7 t80 -74.65 -39.91 61.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.262 -0.899 . . . . 0.0 113.358 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -91.34 -28.43 17.74 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.578 0.549 . . . . 0.0 112.057 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 t -83.05 -23.39 33.21 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.791 1.236 . . . . 0.0 110.77 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.74 162.29 27.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -74.06 150.75 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.691 0.796 . . . . 0.0 112.365 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 56' ' ' PHE . 12.3 mt -117.36 158.21 24.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.56 2.344 . . . . 0.0 108.256 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.4 m -113.51 98.99 7.41 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.696 0.68 . . . . 0.0 109.24 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.793 HG13 HD11 ' A' ' 30' ' ' ILE . 3.2 mm -75.59 110.04 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 O-C-N 121.037 -1.039 . . . . 0.0 109.148 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.65 84.72 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG22 HD13 ' A' ' 70' ' ' ILE . 21.9 m -76.35 97.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 125.35 1.46 . . . . 0.0 107.648 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.03 29.95 15.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.206 0.602 . . . . 0.0 111.836 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.41 -2.76 46.53 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.473 -1.182 . . . . 0.0 114.607 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.8 127.22 48.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.395 1.597 . . . . 0.0 109.167 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.84 109.62 21.26 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.419 0.688 . . . . 0.0 110.831 -159.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.79 125.85 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -168.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -87.51 124.79 33.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.377 0.671 . . . . 0.0 110.509 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 32.7 m -152.34 159.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 C-N-CA 125.621 1.568 . . . . 0.0 111.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 134.99 48.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 123.645 0.778 . . . . 0.0 109.024 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -66.47 141.01 58.05 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.555 0.534 . . . . 0.0 111.835 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -135.6 -26.28 1.24 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.962 0.789 . . . . 0.0 111.89 -166.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.65 97.48 2.12 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 127.438 2.295 . . . . 0.0 105.234 171.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 89' ' ' ILE . 20.6 m -91.26 139.95 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 160.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -115.97 117.92 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.204 1.802 . . . . 0.0 106.379 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -78.92 162.71 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.947 0.499 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 158.62 71.12 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 123.098 0.559 . . . . 0.0 110.001 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.75 -20.22 10.67 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.657 2.904 . . . . 0.0 113.199 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.16 -35.33 0.32 Allowed 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.774 0.716 . . . . 0.0 111.949 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.01 153.94 84.72 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.301 1.04 . . . . 0.0 109.834 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.33 58.26 6.91 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 124.17 3.247 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -133.91 -168.1 2.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.925 1.29 . . . . 0.0 109.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 89' ' ' ILE . 15.1 mt -124.86 151.99 44.56 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.725 1.61 . . . . 0.0 109.315 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.93 -34.94 10.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.412 1.485 . . . . 0.0 110.853 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -179.65 158.19 0.79 Allowed 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.329 1.452 . . . . 0.0 109.553 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.739 HG23 HG12 ' A' ' 77' ' ' VAL . 95.4 mt -141.9 146.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -121.21 165.51 15.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.992 165.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.72 157.73 45.94 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 31' ' ' TYR . 22.5 m -118.15 145.85 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 118.016 0.371 . . . . 0.0 110.562 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -53.94 92.4 0.01 OUTLIER 'General case' 0 C--N 1.341 0.238 0 C-N-CA 127.208 2.203 . . . . 0.0 111.77 -169.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.582 170.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 119.563 -0.256 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 m 55.22 100.01 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.122 2.569 . . . . 0.0 115.072 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -103.63 85.27 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -166.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.58 92.1 0.09 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.136 0.974 . . . . 0.0 111.073 -168.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.56 -161.22 0.84 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.25 147.36 27.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 165.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.86 141.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 121.67 -0.644 . . . . 0.0 110.485 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -134.01 157.42 46.14 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.621 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -136.89 -0.58 2.29 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.939 1.696 . . . . 0.0 113.172 167.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -66.96 10.42 0.14 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.34 2.256 . . . . 0.0 115.739 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -30.05 22.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.56 -12.97 0.42 Allowed Glycine 0 CA--C 1.544 1.894 0 C-N-CA 126.457 1.979 . . . . 0.0 116.679 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp 157.01 -28.97 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 1 C-N-CA 132.341 4.256 . . . . 0.0 111.477 158.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.94 -31.93 58.93 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.257 0.932 . . . . 0.0 112.764 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.05 9.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.459 1.104 . . . . 0.0 110.061 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 m -62.31 -19.83 63.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.711 -0.618 . . . . 0.0 112.512 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.61 -34.44 13.31 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 116.925 -1.512 . . . . 0.0 113.021 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.63 -40.82 63.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.333 1.879 . . . . 0.0 110.224 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -53.97 40.75 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.031 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -60.12 -27.65 67.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.016 0.825 . . . . 0.0 111.906 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.81 -11.53 60.41 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.27 17.96 7.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.24 1.416 . . . . 0.0 112.75 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 65.52 10.33 6.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.587 0.755 . . . . 0.0 112.913 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -86.64 176.68 7.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.301 1.44 . . . . 0.0 108.502 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.2 p90 -159.82 152.97 18.34 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.55 158.28 47.81 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.698 1.599 . . . . 0.0 113.358 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.33 179.28 6.55 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.364 1.066 . . . . 0.0 111.022 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -136.69 158.0 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.606 1.162 . . . . 0.0 110.025 169.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -128.86 104.95 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CE1' HG12 ' A' ' 92' ' ' VAL . 5.0 p90 . . . . . 0 CA--C 1.53 0.196 0 C-N-CA 123.793 0.837 . . . . 0.0 111.464 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.704 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.4 Cg_exo . . . . . 0 CA--C 1.533 0.428 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -151.0 97.56 2.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.45 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 135.61 48.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.25 132.5 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.7 124.8 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.936 1.694 . . . . 0.0 108.788 169.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.53 165.19 28.13 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 121.298 0.571 . . . . 0.0 111.071 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.89 138.71 39.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.25 -50.49 22.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.385 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -26.12 66.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.01 0.823 . . . . 0.0 111.346 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.26 -80.06 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.752 1.621 . . . . 0.0 108.563 166.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CE1' ' A' ' 26' ' ' PHE . 1.9 p -51.37 -27.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -60.93 2.59 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 108.686 171.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.11 -25.27 58.51 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.8 mmt -80.14 -67.29 0.78 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 118.947 0.794 . . . . 0.0 108.868 -175.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.88 -17.44 3.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.109 2.163 . . . . 0.0 112.791 174.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.26 -5.42 22.84 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 125.499 1.52 . . . . 0.0 112.685 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.79 157.46 37.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.404 1.456 . . . . 0.0 110.368 165.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.82 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.438 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -22.89 41.11 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.192 1.397 . . . . 0.0 111.844 171.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 58.1 t80 -76.02 -45.14 36.04 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.343 -0.848 . . . . 0.0 112.894 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -86.74 -29.55 22.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.66 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -86.64 -18.55 31.07 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.846 0.859 . . . . 0.0 111.371 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 145.33 51.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.44 152.12 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.766 0.826 . . . . 0.0 112.413 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HB3' HD11 ' A' ' 4' ' ' ILE . 35.7 mt -116.76 155.17 29.38 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.977 1.711 . . . . 0.0 107.638 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 m -110.01 89.04 2.9 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.549 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mp -66.49 112.86 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 170.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.9 t -93.43 85.55 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 HG22 ' A' ' 63' ' ' ILE . 15.9 m -71.64 96.87 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.445 1.498 . . . . 0.0 108.765 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.64 25.52 8.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.455 1.102 . . . . 0.0 112.605 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.49 -4.55 29.59 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.944 1.259 . . . . 0.0 114.491 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -100.63 126.32 47.11 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 119.318 1.559 . . . . 0.0 108.405 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -102.8 108.49 19.74 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.725 0.41 . . . . 0.0 110.526 -159.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -114.18 125.46 71.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -168.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -87.56 119.27 27.68 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.783 0.833 . . . . 0.0 110.516 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.549 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.5 m -148.86 159.52 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -129.03 133.21 47.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.97 1.308 . . . . 0.0 109.54 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.7 142.9 57.25 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.617 0.573 . . . . 0.0 112.409 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -129.56 -38.44 1.53 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.958 0.903 . . . . 0.0 111.759 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.51 90.44 1.94 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.943 2.097 . . . . 0.0 105.908 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 89' ' ' ILE . 33.7 m -81.06 139.77 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 158.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -116.6 112.44 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -74.78 163.37 27.75 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.928 0.491 . . . . 0.0 109.863 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 159.32 70.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.096 0.558 . . . . 0.0 110.55 168.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.53 -9.27 13.59 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.538 2.825 . . . . 0.0 113.662 -171.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -148.02 -56.21 0.22 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.546 1.066 . . . . 0.0 112.259 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -78.87 154.41 77.99 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.854 1.662 . . . . 0.0 110.201 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.76 76.84 3.91 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.738 2.959 . . . . 0.0 110.982 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -137.4 -168.55 2.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.573 1.549 . . . . 0.0 109.433 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 89' ' ' ILE . 11.7 mt -127.65 153.54 46.34 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.975 2.11 . . . . 0.0 108.399 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.724 1.61 . . . . 0.0 110.448 175.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -175.79 157.7 2.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 125.575 1.55 . . . . 0.0 108.702 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 86' ' ' LEU . 82.6 mt -144.71 150.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.29 166.14 17.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.396 166.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -139.06 155.84 47.63 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.98 1.312 . . . . 0.0 107.939 170.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.43 HG12 ' CE1' ' A' ' 31' ' ' TYR . 4.8 m -112.1 149.76 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -57.81 93.54 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.691 1.596 . . . . 0.0 111.967 -175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.103 -1.903 . . . . 0.0 112.307 167.511 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 m 56.7 104.22 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.016 2.526 . . . . 0.0 114.141 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.448 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -107.45 85.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-O 121.952 0.882 . . . . 0.0 109.482 -168.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.491 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.9 m120 -59.52 117.9 5.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.28 1.032 . . . . 0.0 109.673 -172.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.38 -161.5 1.04 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.728 1.211 . . . . 0.0 108.473 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.93 140.84 21.07 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 165.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 38' ' ' LEU . 27.3 m -53.92 153.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.797 1.239 . . . . 0.0 111.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' A' ' 16' ' ' ALA . 60.4 mtp180 -130.18 151.99 50.11 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.881 1.272 . . . . 0.0 112.35 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.56 12.96 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.492 2.717 . . . . 0.0 110.379 -175.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -111.27 13.0 21.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.565 1.946 . . . . 0.0 111.233 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -25.96 67.48 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 115.654 -162.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 -0.91 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 128.067 2.746 . . . . 0.0 118.509 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 141.64 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 1 C-N-CA 135.705 5.602 . . . . 0.0 109.974 163.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.22 -37.56 38.61 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.199 1.38 . . . . 0.0 113.026 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.43 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -61.63 -55.28 32.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.913 0.885 . . . . 0.0 110.893 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.47 -28.15 58.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.562 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 -32.18 12.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 116.231 -1.842 . . . . 0.0 113.641 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -65.93 -42.11 90.52 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 121.987 2.176 . . . . 0.0 109.619 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -61.23 -60.41 3.79 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.709 1.204 . . . . 0.0 110.75 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -66.49 -19.82 65.88 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 119.066 0.848 . . . . 0.0 112.468 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -16.94 62.6 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.8 -53.8 3.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.205 1.002 . . . . 0.0 110.192 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 p30 136.9 -9.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 1 C-N-CA 132.293 4.237 . . . . 0.0 112.625 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -74.68 173.2 10.81 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.068 1.347 . . . . 0.0 107.59 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 1.3 p90 -156.0 153.28 25.39 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.55 155.44 50.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.024 1.816 . . . . 0.0 112.741 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.3 7.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.842 1.257 . . . . 0.0 110.655 163.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.6 tp -134.57 155.59 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.44 1.496 . . . . 0.0 110.713 174.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.756 HD11 HG13 ' A' ' 63' ' ' ILE . 53.8 mt -125.27 81.29 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 C-N-CA 125.816 1.647 . . . . 0.0 106.604 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.1 Cg_exo . . . . . 0 N--CA 1.451 -0.991 0 N-CA-C 116.879 1.838 . . . . 0.0 116.879 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 HG12 ' A' ' 8' ' ' VAL . 4.0 tt -155.22 108.86 2.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.961 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.77 53.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.954 -0.546 . . . . 0.0 109.746 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.593 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -139.45 146.22 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.983 1.313 . . . . 0.0 108.03 174.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -103.21 106.33 16.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.308 3.043 . . . . 0.0 107.157 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.45 167.75 15.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.102 0.953 . . . . 0.0 112.195 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 51.8 t0 -69.58 123.85 22.41 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.013 1.725 . . . . 0.0 108.125 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -52.15 42.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.132 0.573 . . . . 0.0 110.801 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.281 0.491 . . . . 0.0 111.333 -172.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 20.2 ttmm -60.02 -75.08 0.06 Allowed 'General case' 0 C--N 1.344 0.353 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.023 163.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.13 -27.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 119.886 1.221 . . . . 0.0 113.97 -170.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 tpp -50.19 -62.34 1.64 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.135 0.974 . . . . 0.0 108.779 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.8 -20.73 37.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.42 -67.41 0.79 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.31 -18.35 2.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.543 2.337 . . . . 0.0 112.738 174.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.57 22.95 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.422 1.489 . . . . 0.0 112.599 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.24 160.82 23.07 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.275 1.398 . . . . 0.0 110.532 166.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -74.03 -24.72 59.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.62 -23.87 18.95 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.736 1.614 . . . . 0.0 111.398 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' HD21 ' A' ' 61' ' ' LEU . 73.0 t80 -73.16 -49.06 30.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 121.126 -0.984 . . . . 0.0 112.536 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 54' ' ' ALA . 13.3 p90 -83.43 -29.38 28.14 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.242 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -84.74 -18.58 34.71 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.404 1.082 . . . . 0.0 111.898 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.75 143.64 47.26 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 147.29 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.711 0.805 . . . . 0.0 112.191 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.6 mt -114.95 161.35 18.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.711 1.604 . . . . 0.0 108.649 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -117.31 97.17 5.76 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 109.664 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.756 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -76.21 111.05 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.0 t -93.62 82.88 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 14.2 m -74.53 99.54 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.114 1.766 . . . . 0.0 106.416 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t70 56.85 30.45 17.89 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.811 0.338 . . . . 0.0 111.669 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.53 58.49 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.657 -1.079 . . . . 0.0 114.46 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -100.07 122.88 43.62 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.154 1.477 . . . . 0.0 108.385 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -98.51 108.83 21.62 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.098 0.959 . . . . 0.0 110.519 -162.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.89 131.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -171.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -85.96 128.01 34.75 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 123.449 0.699 . . . . 0.0 110.474 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 70' ' ' ILE . 32.0 m -151.86 163.16 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -135.25 136.09 41.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.548 1.139 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.99 147.76 51.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -131.19 -38.67 1.21 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.732 1.213 . . . . 0.0 112.33 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -141.75 80.81 1.74 Allowed 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.602 HG12 HG23 ' A' ' 89' ' ' ILE . 25.8 m -77.14 140.77 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 158.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -121.87 114.95 21.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -76.01 162.19 28.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.031 0.532 . . . . 0.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 159.71 72.48 Favored Pre-proline 0 CA--C 1.536 0.441 0 C-N-CA 123.531 0.732 . . . . 0.0 110.778 169.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.82 -8.88 13.32 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.191 2.594 . . . . 0.0 113.77 -173.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -147.27 -55.2 0.23 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.88 1.218 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 83' ' ' LYS . 18.7 ptmt -83.24 157.15 65.92 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.012 1.725 . . . . 0.0 110.269 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.68 74.84 5.28 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.723 2.949 . . . . 0.0 111.167 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 72.7 mmtt -136.86 -167.66 2.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.659 1.584 . . . . 0.0 109.315 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD13 HD11 ' A' ' 89' ' ' ILE . 10.1 mt -133.41 137.85 45.97 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.934 1.694 . . . . 0.0 108.358 -172.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -86.65 -36.69 18.62 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.675 1.19 . . . . 0.0 110.511 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -176.24 154.67 1.4 Allowed 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 124.905 1.282 . . . . 0.0 109.644 -168.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.749 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -139.53 157.36 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -141.07 128.28 20.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.467 1.507 . . . . 0.0 107.521 -169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -125.33 143.53 50.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -93.57 147.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.555 0.616 . . . . 0.0 109.489 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -58.09 89.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.155 2.182 . . . . 0.0 110.329 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.681 1.192 . . . . 0.0 111.734 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m 58.61 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 128.117 2.567 . . . . 0.0 113.981 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.05 82.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -168.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.416 HD22 ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.25 107.39 0.64 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -175.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.86 -161.62 0.76 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.478 1.911 . . . . 0.0 107.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -152.15 142.95 22.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 167.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.48 144.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.642 -0.661 . . . . 0.0 110.835 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -138.15 157.48 46.23 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.077 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -136.57 -2.23 2.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.846 1.658 . . . . 0.0 113.361 168.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.35 13.15 0.18 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.8 2.44 . . . . 0.0 115.348 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -31.63 16.55 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -170.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.34 -1.43 0.03 OUTLIER Glycine 0 CA--C 1.546 1.99 0 C-N-CA 127.738 2.59 . . . . 0.0 117.919 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp 135.4 -25.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 1 C-N-CA 135.574 5.55 . . . . 0.0 110.264 169.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.49 -51.75 21.14 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.566 1.079 . . . . 0.0 111.798 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.09 69.3 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.202 1.401 . . . . 0.0 111.691 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 m -58.42 -29.37 66.06 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.801 -0.562 . . . . 0.0 111.51 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -40.15 15.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 115.941 -1.98 . . . . 0.0 111.793 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.73 78.49 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 122.041 2.201 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -60.7 2.44 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.455 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.12 -20.55 64.18 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-O 118.417 -0.802 . . . . 0.0 112.478 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.34 -15.84 59.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.82 -59.07 2.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.286 1.034 . . . . 0.0 108.868 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 136.22 0.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 131.47 3.908 . . . . 0.0 111.813 -162.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -81.33 175.02 10.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 153.69 12.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.45 162.09 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.51 1.473 . . . . 0.0 114.064 -167.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.46 179.96 6.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.602 1.161 . . . . 0.0 111.35 162.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tp -135.52 157.48 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 125.63 1.572 . . . . 0.0 110.2 171.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.402 HG23 HG11 ' A' ' 72' ' ' VAL . 37.1 mt -127.85 94.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -167.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 10.6 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 CA-C-O 120.462 0.109 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tp -148.03 102.72 3.41 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.377 0.608 . . . . 0.0 110.509 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.61 134.35 45.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.441 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -131.07 141.3 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -90.94 113.78 26.09 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 127.586 2.354 . . . . 0.0 107.905 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.22 165.89 22.35 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 111.928 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -77.79 135.78 38.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -70.05 -52.37 24.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.382 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.05 -32.57 71.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.638 0.654 . . . . 0.0 111.964 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -58.72 -77.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.494 1.518 . . . . 0.0 108.67 166.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -60.54 -24.27 31.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 tpp -50.56 -64.32 0.84 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.134 1.374 . . . . 0.0 108.876 167.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -56.32 -18.99 12.38 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.326 0.966 . . . . 0.0 113.429 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -84.72 -65.69 0.98 Allowed 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -60.8 -9.01 3.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.024 1.284 . . . . 0.0 113.962 174.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.72 19.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.308 1.443 . . . . 0.0 111.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.94 158.28 32.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.881 1.218 . . . . 0.0 109.702 161.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.6 58.44 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.52 -19.18 23.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.377 1.871 . . . . 0.0 111.873 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 53.6 t80 -75.38 -46.54 32.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.398 -0.814 . . . . 0.0 112.764 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -85.87 -28.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.0 t -78.31 -37.69 44.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.019 1.328 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.71 148.09 49.9 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -66.9 151.89 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 123.716 0.806 . . . . 0.0 112.652 -167.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' A' ' 4' ' ' ILE . 17.6 mt -115.58 160.83 19.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.161 2.184 . . . . 0.0 108.248 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.5 m -118.14 96.0 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 118.77 0.714 . . . . 0.0 109.454 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.436 HG22 HG13 ' A' ' 65' ' ' VAL . 1.2 mt -80.87 109.08 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 120.399 -1.438 . . . . 0.0 111.99 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 5' ' ' ASN . 47.2 t -94.63 81.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.973 1.709 . . . . 0.0 108.228 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG22 HD13 ' A' ' 70' ' ' ILE . 34.7 m -74.5 94.93 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 126.21 1.804 . . . . 0.0 108.868 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.32 24.61 10.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.141 0.976 . . . . 0.0 112.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -2.86 34.48 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.823 1.201 . . . . 0.0 114.345 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -92.8 119.28 31.99 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.25 102.48 13.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.005 0.82 . . . . 0.0 110.679 -163.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.532 HG22 HG13 ' A' ' 72' ' ' VAL . 1.8 mp -105.91 127.06 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -167.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 14.4 mmtm -83.54 122.98 29.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.951 0.5 . . . . 0.0 110.506 175.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 70' ' ' ILE . 33.1 m -154.16 162.39 2.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 125.011 1.324 . . . . 0.0 112.194 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.4 137.35 24.26 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 138.83 56.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.177 0.923 . . . . 0.0 112.358 -169.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -16.18 7.97 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.356 1.035 . . . . 0.0 111.646 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -159.52 125.39 4.29 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.433 1.893 . . . . 0.0 106.64 164.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.7 m -103.72 143.45 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 160.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -120.82 98.85 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -163.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -77.48 161.85 27.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.847 0.859 . . . . 0.0 111.617 -170.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 159.52 33.32 Favored Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 122.655 0.382 . . . . 0.0 110.588 159.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.48 -24.24 2.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.537 2.825 . . . . 0.0 113.482 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -147.56 11.19 0.98 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.072 0.949 . . . . 0.0 112.052 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -131.84 155.42 81.4 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 125.29 1.436 . . . . 0.0 108.488 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.55 49.13 2.97 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.439 3.426 . . . . 0.0 111.119 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -118.32 -176.9 3.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.021 1.728 . . . . 0.0 109.517 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 89' ' ' ILE . 13.3 mt -121.84 164.99 16.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.068 1.747 . . . . 0.0 108.964 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.58 -27.56 3.11 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.796 2.439 . . . . 0.0 109.834 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 178.86 163.78 0.81 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 126.754 2.022 . . . . 0.0 109.265 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 73.2 mt -148.9 149.66 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 125.666 1.586 . . . . 0.0 106.993 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -120.83 155.03 34.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 164.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.31 149.62 52.48 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.35 148.94 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 118.409 0.549 . . . . 0.0 109.824 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -58.16 93.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.861 2.065 . . . . 0.0 110.52 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.794 -1.574 . . . . 0.0 111.727 170.543 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.8 m 62.73 95.86 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.782 2.833 . . . . 0.0 112.542 172.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.48 84.1 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -166.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.24 117.59 5.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.24 -161.37 1.02 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.21 1.404 . . . . 0.0 108.059 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -158.08 139.82 13.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.438 1.895 . . . . 0.0 105.951 168.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.86 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 O-C-N 121.65 -0.656 . . . . 0.0 111.551 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -140.31 143.32 35.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.082 175.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 mmpt? -124.48 5.1 8.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.356 1.462 . . . . 0.0 112.951 173.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.43 11.49 2.97 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.235 2.214 . . . . 0.0 113.713 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -37.25 7.3 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.258 1.823 . . . . 0.0 115.426 -168.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.21 0.55 0.01 OUTLIER Glycine 0 CA--C 1.538 1.482 0 C-N-CA 130.359 3.838 . . . . 0.0 119.367 -170.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 140.54 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 1 C-N-CA 136.769 6.028 . . . . 0.0 108.193 170.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.86 83.61 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.671 1.605 . . . . 0.0 113.607 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.46 27.35 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 118.548 1.174 . . . . 0.0 110.203 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -61.21 -20.17 62.48 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.068 -1.02 . . . . 0.0 112.559 -170.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -29.48 14.61 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.212 1.805 . . . . 0.0 113.411 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -77.09 -38.53 52.17 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.931 1.696 . . . . 0.0 109.89 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 41' ' ' GLU . 3.0 mp -58.71 -57.81 11.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.69 1.196 . . . . 0.0 110.125 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -63.09 -20.45 65.36 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.072 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.52 -15.28 59.92 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.49 -85.51 0.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 165.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.08 3.63 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 129.354 3.062 . . . . 0.0 110.85 173.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.11 176.42 8.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.8 2.04 . . . . 0.0 106.478 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.8 p90 -161.15 152.96 16.37 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -73.6 152.58 48.44 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.69 1.593 . . . . 0.0 112.364 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.33 179.96 6.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.009 1.324 . . . . 0.0 110.792 162.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -136.79 156.19 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 C-N-CA 124.144 0.977 . . . . 0.0 109.974 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.642 HD11 HG13 ' A' ' 63' ' ' ILE . 57.3 mt -127.15 93.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' PRO 0.251 5.5 p90 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 11.3 Cg_endo . . . . . 0 N--CA 1.455 -0.782 0 CA-C-O 120.746 0.227 . . . . 0.0 112.119 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -151.77 98.06 2.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.347 0.594 . . . . 0.0 110.014 -166.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' CZ ' ' A' ' 9' ' ' ARG . . . -66.93 132.94 49.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.26 142.85 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 179.032 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 20' ' ' LEU . 20.1 tt0 -93.46 113.92 26.18 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 128.026 2.53 . . . . 0.0 107.829 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.54 164.88 26.17 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.85 0.834 . . . . 0.0 111.194 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.0 132.88 40.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.263 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -66.89 -50.25 63.04 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.393 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.48 -34.78 76.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.384 0.538 . . . . 0.0 111.444 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -62.73 -73.79 0.1 Allowed 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -58.93 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -169.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 tpp -51.13 -63.38 1.15 Allowed 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.488 1.115 . . . . 0.0 108.542 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -56.87 -19.0 15.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.31 -67.78 0.76 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -60.41 -7.75 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 176.133 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -1.55 20.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.434 1.494 . . . . 0.0 111.877 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 158.99 31.95 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.012 1.278 . . . . 0.0 110.066 162.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -23.15 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.25 -20.6 28.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.191 1.796 . . . . 0.0 111.598 172.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 53.0 t80 -70.8 -52.11 22.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.191 -0.943 . . . . 0.0 112.073 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -81.46 -28.65 34.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.939 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -78.97 -34.74 43.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.924 1.29 . . . . 0.0 110.991 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 127.9 45.26 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -169.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.97 145.06 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.018 1.727 . . . . 0.0 113.3 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 8.3 mt -113.29 157.67 21.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.911 1.284 . . . . 0.0 108.194 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 3' ' ' THR . 8.7 m -113.41 100.51 8.59 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.18 0.514 . . . . 0.0 109.623 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.642 HG13 HD11 ' A' ' 30' ' ' ILE . 5.2 mm -80.2 104.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 124.912 1.285 . . . . 0.0 108.207 -177.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.53 81.99 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 HD13 ' A' ' 70' ' ' ILE . 16.2 m -74.6 99.6 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.3 t70 56.06 30.93 17.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.012 0.434 . . . . 0.0 111.625 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.48 -3.0 57.66 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 118.581 -1.122 . . . . 0.0 114.578 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -101.1 125.05 47.69 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 119.305 1.552 . . . . 0.0 108.676 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -101.36 107.18 18.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.617 0.767 . . . . 0.0 111.283 -159.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.81 126.74 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -168.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.6 mmtm -85.67 124.51 32.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.548 0.739 . . . . 0.0 110.926 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.484 HG13 HG22 ' A' ' 70' ' ' ILE . 25.5 m -150.77 160.82 3.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 124.656 1.182 . . . . 0.0 113.416 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -132.9 134.97 45.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.624 1.17 . . . . 0.0 109.529 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 139.51 58.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.704 0.628 . . . . 0.0 112.158 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -28.73 4.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.276 1.03 . . . . 0.0 111.402 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.72 116.35 2.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.892 2.077 . . . . 0.0 106.072 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -93.52 141.73 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 159.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -122.03 100.81 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.796 2.038 . . . . 0.0 105.734 -171.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -76.7 166.01 23.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.188 1.795 . . . . 0.0 111.14 -168.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.41 159.62 11.48 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 122.68 0.392 . . . . 0.0 110.844 159.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -84.36 -21.24 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.931 2.421 . . . . 0.0 113.18 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -149.34 9.83 0.75 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.924 0.89 . . . . 0.0 112.866 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -135.77 157.02 76.97 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 124.848 1.259 . . . . 0.0 109.004 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.67 55.44 5.51 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.184 3.256 . . . . 0.0 111.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.58 -174.04 2.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.097 1.759 . . . . 0.0 110.187 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -124.98 162.05 25.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.106 1.762 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.9 -25.27 3.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.269 2.228 . . . . 0.0 110.409 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -176.09 159.03 2.06 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.603 1.561 . . . . 0.0 109.178 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 87.2 mt -146.74 152.5 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -124.06 159.35 30.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 165.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.6 156.8 48.06 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 106.608 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.77 147.45 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 118.575 0.625 . . . . 0.0 109.612 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -53.3 90.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.613 2.365 . . . . 0.0 111.034 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.409 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.574 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.6 m 63.59 100.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.837 2.855 . . . . 0.0 112.731 170.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 84.57 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -164.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.47 96.41 0.16 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.754 1.222 . . . . 0.0 110.195 -168.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -101.1 -158.54 0.68 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.163 0.985 . . . . 0.0 108.436 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -161.95 133.28 5.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.578 1.951 . . . . 0.0 106.288 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.7 140.22 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 C-N-CA 123.502 0.721 . . . . 0.0 111.308 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.59 148.73 36.32 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.276 178.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.9 mmpt? -133.69 -2.97 2.96 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.369 1.467 . . . . 0.0 113.245 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.99 13.87 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 129.026 2.93 . . . . 0.0 115.138 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -45.04 30.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -166.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -14.03 -63.1 0.01 OUTLIER Glycine 0 N--CA 1.473 1.111 0 C-N-CA 129.696 3.522 . . . . 0.0 114.036 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -171.1 -11.53 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 128.289 2.635 . . . . 0.0 109.212 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.5 -38.98 52.3 Favored Glycine 0 C--N 1.344 0.988 0 C-N-CA 126.574 2.035 . . . . 0.0 114.062 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . . . -80.04 -48.06 13.9 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 123.551 0.74 . . . . 0.0 110.954 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 -27.86 66.81 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -74.79 -57.22 4.05 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 115.955 -1.974 . . . . 0.0 109.069 170.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 13.4 ptp180 -63.55 -42.75 98.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.774 2.079 . . . . 0.0 110.149 -164.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.05 -61.71 2.26 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.751 1.22 . . . . 0.0 110.01 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.4 -23.28 62.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.954 0.902 . . . . 0.0 112.402 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.46 -13.02 55.65 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.632 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.77 -85.12 0.45 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 164.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.75 5.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.263 1.825 . . . . 0.0 112.288 -174.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.54 174.85 6.64 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.381 1.872 . . . . 0.0 106.526 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.04 152.56 8.63 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -70.66 163.05 40.37 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.478 1.452 . . . . 0.0 113.048 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.51 179.41 6.57 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.281 1.432 . . . . 0.0 109.706 159.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -135.24 156.57 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.601 1.16 . . . . 0.0 110.214 169.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' ' 63' ' ' ILE . 75.7 mt -117.82 93.16 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 110.413 173.68 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 115.429 1.28 . . . . 0.0 115.429 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tp -158.83 100.83 1.61 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 122.677 0.391 . . . . 0.0 110.152 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.07 137.83 40.43 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.432 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.12 131.93 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.592 1.557 . . . . 0.0 108.031 -174.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.98 126.92 31.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 127.868 2.467 . . . . 0.0 108.668 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.45 168.32 20.01 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 121.701 0.763 . . . . 0.0 112.363 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.488 ' H ' ' HZ1' ' A' ' 46' ' ' LYS . 18.8 t70 -77.01 137.35 38.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.984 1.314 . . . . 0.0 109.239 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.447 ' HD1' HD12 ' A' ' 86' ' ' LEU . 6.6 t60 -72.14 -54.35 10.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.939 176.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.24 -30.46 69.42 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.907 0.776 . . . . 0.0 112.115 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ1' ' H ' ' A' ' 43' ' ' ASP . 27.8 ttpt -59.84 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.944 2.098 . . . . 0.0 109.681 167.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.12 -27.4 9.65 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 tpp -50.66 -65.06 0.62 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.62 1.168 . . . . 0.0 109.222 167.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 -18.27 7.16 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mmt -84.51 -66.69 0.87 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 118.358 -0.83 . . . . 0.0 108.776 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.6 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.02 -8.38 3.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.007 1.276 . . . . 0.0 113.916 175.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -1.19 17.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.387 1.475 . . . . 0.0 111.847 174.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 158.28 34.63 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.95 1.25 . . . . 0.0 109.888 160.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.22 60.29 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -56.15 -21.03 20.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.957 1.703 . . . . 0.0 111.776 171.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.0 t80 -72.12 -49.6 34.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.172 -0.955 . . . . 0.0 112.471 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -85.65 -25.5 26.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.456 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -83.39 -30.34 27.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.106 1.362 . . . . 0.0 110.979 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 127.78 44.09 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -173.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.49 145.04 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.969 1.708 . . . . 0.0 112.903 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 56' ' ' PHE . 39.1 mt -110.88 157.62 19.64 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.91 1.684 . . . . 0.0 108.038 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.1 m -111.78 98.46 7.41 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 30' ' ' ILE . 5.3 mm -73.65 111.07 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 O-C-N 120.99 -1.069 . . . . 0.0 108.722 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.72 83.59 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -72.23 95.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 125.779 1.632 . . . . 0.0 108.532 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.28 25.97 8.02 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.424 1.09 . . . . 0.0 112.468 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 -4.77 27.97 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.907 1.242 . . . . 0.0 114.695 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -101.06 126.04 47.72 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.432 1.616 . . . . 0.0 108.325 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -103.1 108.59 19.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.983 0.513 . . . . 0.0 110.725 -159.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.618 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.0 128.76 69.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -170.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 mmtm -83.25 124.61 30.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.468 0.707 . . . . 0.0 111.166 172.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG13 HG22 ' A' ' 70' ' ' ILE . 19.6 m -151.47 162.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 C-N-CA 124.881 1.273 . . . . 0.0 112.85 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -135.65 128.58 31.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -63.19 127.47 31.41 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 124.504 1.128 . . . . 0.0 110.683 -177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 -16.22 10.56 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.256 0.973 . . . . 0.0 111.499 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -161.84 126.06 3.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 160.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.703 HG12 HG23 ' A' ' 89' ' ' ILE . 26.8 m -98.82 144.1 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 162.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.5 104.01 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -75.29 166.47 23.56 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.104 0.962 . . . . 0.0 110.362 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 162.26 51.13 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.651 0.78 . . . . 0.0 110.687 164.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.94 -24.8 2.57 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.486 2.791 . . . . 0.0 112.917 -171.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -147.71 10.22 0.93 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.702 1.201 . . . . 0.0 112.167 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -124.18 159.13 58.34 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 125.472 1.509 . . . . 0.0 108.425 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.76 9.05 2.07 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.715 2.943 . . . . 0.0 112.843 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -78.0 -177.77 5.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.49 1.116 . . . . 0.0 109.834 -175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 89' ' ' ILE . 11.9 mt -117.45 162.65 17.62 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.409 1.484 . . . . 0.0 108.309 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -123.18 -28.44 4.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.875 2.07 . . . . 0.0 111.014 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -178.37 162.11 1.46 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.528 1.531 . . . . 0.0 109.295 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 77' ' ' VAL . 72.3 mt -147.24 146.06 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.33 155.56 29.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.78 0.832 . . . . 0.0 108.818 167.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -131.34 154.35 48.67 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.804 1.642 . . . . 0.0 107.325 165.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.2 158.8 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 118.066 -0.968 . . . . 0.0 108.628 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -62.25 100.98 0.19 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.133 0.878 . . . . 0.0 109.9 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.456 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.449 166.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 119.536 -0.268 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 59.14 104.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.28 2.632 . . . . 0.0 114.619 170.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.58 84.78 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -169.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.437 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.8 m120 -63.41 100.79 0.27 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.011 0.925 . . . . 0.0 110.546 -170.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.17 -160.12 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.03 139.0 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.1 m -63.29 134.98 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.71 -0.619 . . . . 0.0 110.841 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -129.59 148.34 51.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 174.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -128.44 -1.47 5.59 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.912 2.085 . . . . 0.0 112.49 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.96 14.29 0.3 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.158 2.583 . . . . 0.0 114.416 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -31.66 32.46 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.19 -14.58 1.34 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.459 1.981 . . . . 0.0 116.391 -172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 166.28 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 130.755 3.622 . . . . 0.0 109.747 158.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.93 98.02 Favored Glycine 0 C--N 1.344 0.992 0 C-N-CA 124.496 1.046 . . . . 0.0 112.683 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . . . -64.03 -47.78 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.493 0.717 . . . . 0.0 111.447 173.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -55.92 -33.9 65.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.597 0.237 . . . . 0.0 111.462 -172.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -34.58 14.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 116.632 -1.652 . . . . 0.0 112.379 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 7.5 ptt180 -71.54 -41.07 69.6 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.047 1.749 . . . . 0.0 110.907 177.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.75 -59.64 5.06 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.354 1.062 . . . . 0.0 109.573 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -57.76 -25.79 60.97 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.126 0.891 . . . . 0.0 111.433 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 -11.72 60.02 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.97 19.06 7.13 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.22 1.808 . . . . 0.0 112.577 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 66.47 7.71 5.23 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -84.19 177.59 8.15 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 159.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.78 154.77 9.09 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -70.33 159.94 51.26 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 121.483 1.455 . . . . 0.0 113.479 -172.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 174.51 11.1 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.329 1.452 . . . . 0.0 109.596 160.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -130.76 156.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 125.348 1.459 . . . . 0.0 109.771 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -126.86 94.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' HG12 ' A' ' 92' ' ' VAL 0.284 6.8 p90 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.459 -0.554 0 CA-C-O 120.576 0.156 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -157.29 98.8 1.74 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 109.521 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.94 132.96 46.0 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.495 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.87 129.14 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.128 1.371 . . . . 0.0 108.621 -174.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -81.93 116.2 21.46 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 130.513 3.525 . . . . 0.0 109.58 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.02 167.01 21.4 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.076 0.55 . . . . 0.0 111.833 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.09 134.26 42.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -54.11 10.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.918 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -23.61 65.67 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.871 0.759 . . . . 0.0 111.886 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -58.9 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.895 1.678 . . . . 0.0 109.274 161.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -50.28 -26.64 3.55 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -49.8 -63.52 1.09 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 124.809 1.243 . . . . 0.0 109.595 168.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -55.65 -24.4 33.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.3 mmt -82.36 -65.57 0.99 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -174.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.4 -17.72 3.38 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.871 2.069 . . . . 0.0 113.162 172.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.27 -3.03 21.25 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 112.862 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 157.58 35.35 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.472 1.487 . . . . 0.0 109.97 163.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.58 61.03 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.14 -23.1 32.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 41.7 t80 -76.09 -43.84 41.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.168 -0.957 . . . . 0.0 112.915 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -86.39 -29.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.117 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.7 t -79.25 -28.21 42.4 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.393 1.077 . . . . 0.0 110.906 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 144.11 51.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -174.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.85 149.18 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.434 1.094 . . . . 0.0 112.777 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 56' ' ' PHE . 24.2 mt -115.3 160.64 19.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.553 1.941 . . . . 0.0 108.44 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -117.64 95.69 5.05 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.943 0.792 . . . . 0.0 108.997 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mt -83.16 108.28 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 O-C-N 120.787 -1.196 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 5' ' ' ASN . 24.2 t -92.55 83.16 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 HD13 ' A' ' 70' ' ' ILE . 5.0 m -74.53 94.53 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 C-N-CA 126.269 1.828 . . . . 0.0 107.44 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 57.71 27.29 14.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 0.0 112.295 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.71 31.42 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.686 -1.064 . . . . 0.0 114.201 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -97.42 120.66 38.19 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.177 1.488 . . . . 0.0 108.927 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -90.57 112.92 24.8 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.718 0.807 . . . . 0.0 111.093 -167.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.502 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.45 123.98 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.9 mmtm -83.15 122.11 27.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.418 0.687 . . . . 0.0 110.37 176.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 70' ' ' ILE . 27.3 m -149.54 155.61 8.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 C-N-CA 125.255 1.422 . . . . 0.0 112.278 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -126.46 131.73 51.6 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -64.27 137.6 58.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.05 0.843 . . . . 0.0 111.064 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -127.47 -34.64 2.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.243 1.417 . . . . 0.0 110.482 -165.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -154.11 107.41 2.91 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.282 1.433 . . . . 0.0 107.146 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.682 HG12 HG23 ' A' ' 89' ' ' ILE . 22.5 m -85.74 148.96 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 165.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -126.99 107.52 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -167.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -84.27 166.56 17.39 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.39 1.076 . . . . 0.0 111.898 -170.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 162.94 40.68 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.562 0.745 . . . . 0.0 111.101 164.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.36 -33.58 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.904 2.402 . . . . 0.0 112.839 -171.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.75 -12.25 1.75 Allowed 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.25 1.02 . . . . 0.0 113.122 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.57 160.14 27.09 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.412 . . . . 0.0 108.908 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.59 9.15 1.64 Allowed 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.592 2.861 . . . . 0.0 113.505 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -79.86 -169.69 2.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.134 2.174 . . . . 0.0 111.509 -171.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 89' ' ' ILE . 11.1 mt -125.46 158.04 35.43 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.839 2.055 . . . . 0.0 108.82 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -122.81 -23.76 4.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.88 1.672 . . . . 0.0 111.333 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -174.05 161.6 3.66 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 125.04 1.336 . . . . 0.0 109.742 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.682 HG23 HG12 ' A' ' 77' ' ' VAL . 78.1 mt -146.28 144.88 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -115.85 125.74 53.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -112.07 160.98 16.99 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 161.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 31' ' ' TYR . 17.1 m -122.01 151.52 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.503 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -53.52 93.25 0.01 OUTLIER 'General case' 0 C--N 1.343 0.325 0 C-N-CA 126.6 1.96 . . . . 0.0 110.766 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.472 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.929 171.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m 62.56 114.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.097 2.559 . . . . 0.0 113.399 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.39 81.4 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.166 0.986 . . . . 0.0 108.365 -168.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.68 119.18 7.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -124.33 -161.86 1.03 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.041 1.337 . . . . 0.0 107.799 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.56 142.74 20.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 165.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 m -63.62 141.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.203 0.525 . . . . 0.0 110.799 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -137.72 155.69 48.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.509 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.1 mmpt? -134.57 -0.51 2.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.163 1.385 . . . . 0.0 112.872 168.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 11.57 0.61 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.066 2.146 . . . . 0.0 114.248 -176.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -38.29 9.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.892 2.077 . . . . 0.0 115.923 -166.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 7.65 0.01 OUTLIER Glycine 0 CA--C 1.545 1.938 0 C-N-CA 130.066 3.698 . . . . 0.0 120.143 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp 131.49 -27.48 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 1 C-N-CA 136.863 6.065 . . . . 0.0 109.477 174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.76 -54.74 26.63 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.063 1.316 . . . . 0.0 112.176 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.58 64.04 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -64.18 -22.0 66.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -167.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -38.23 17.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 116.637 -1.649 . . . . 0.0 111.269 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -69.89 -34.89 74.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.034 1.743 . . . . 0.0 110.691 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -55.72 10.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.863 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -26.36 66.96 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.974 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.52 60.23 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.54 15.11 8.84 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.718 1.607 . . . . 0.0 112.826 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 65.93 9.28 5.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.77 0.828 . . . . 0.0 113.222 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -81.78 175.96 10.0 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.035 1.334 . . . . 0.0 108.443 165.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE1' HG11 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -159.94 153.84 19.53 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -77.12 160.75 33.0 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.679 1.586 . . . . 0.0 113.245 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.48 -178.35 5.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.479 1.111 . . . . 0.0 111.037 165.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -141.48 158.59 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.479 1.111 . . . . 0.0 110.224 175.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.625 HD11 HG13 ' A' ' 63' ' ' ILE . 55.2 mt -130.0 93.44 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.966 1.706 . . . . 0.0 106.51 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -166.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.752 ' HB2' HD11 ' A' ' 29' ' ' ILE . 83.5 Cg_exo . . . . . 0 CA--C 1.532 0.411 0 N-CA-C 117.336 2.014 . . . . 0.0 117.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -150.3 102.91 3.11 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.257 1.023 . . . . 0.0 109.764 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.25 136.04 46.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.019 0.528 . . . . 0.0 109.957 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.02 141.07 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.153 1.381 . . . . 0.0 107.497 179.282 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -89.21 117.83 28.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.744 2.418 . . . . 0.0 108.548 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.84 168.34 19.24 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.35 0.595 . . . . 0.0 111.211 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.2 132.57 41.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.357 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -66.68 -49.43 66.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.406 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.48 -27.43 63.23 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.853 0.752 . . . . 0.0 111.759 -170.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 50' ' ' MET . 23.1 ttmm -57.56 -77.71 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 CA-C-O 117.544 -1.217 . . . . 0.0 108.001 161.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' CE1' ' A' ' 26' ' ' PHE . 3.3 p -56.4 -26.06 21.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 CA-C-N 119.804 1.184 . . . . 0.0 113.39 -167.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.45 ' HA ' HD11 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -46.91 -64.26 0.82 Allowed 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 126.173 1.789 . . . . 0.0 109.34 167.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.83 -19.19 49.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -86.19 -68.72 0.72 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -61.6 -8.4 4.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 178.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -58.02 -22.62 50.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.952 1.301 . . . . 0.0 112.442 173.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HE2' ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -127.38 152.82 46.99 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 118.71 0.686 . . . . 0.0 112.435 -168.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.13 74.99 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 -166.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.0 -38.37 85.88 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.815 1.246 . . . . 0.0 110.007 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 8.6 t80 -56.89 -46.03 82.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 120.521 1.51 . . . . 0.0 111.127 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.09 59.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.83 -176.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.3 t -85.04 -16.17 41.6 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.107 0.963 . . . . 0.0 111.552 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.21 172.22 8.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.319 1.448 . . . . 0.0 107.361 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.56 151.37 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 123.43 0.692 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.7 mt -118.72 157.47 27.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.48 1.912 . . . . 0.0 108.067 174.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -112.02 106.73 15.46 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.625 HG13 HD11 ' A' ' 30' ' ' ILE . 5.5 mm -85.07 104.74 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 125.081 1.352 . . . . 0.0 107.965 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.42 82.71 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 9.7 m -74.33 100.3 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 56.34 30.22 16.46 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.239 0.472 . . . . 0.0 111.863 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.42 -2.22 57.48 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 118.712 -1.049 . . . . 0.0 114.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 10.4 mtmt -102.84 124.44 48.37 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.064 1.432 . . . . 0.0 108.551 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -100.76 107.43 19.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.7 0.8 . . . . 0.0 110.854 -159.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.45 127.5 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -169.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -86.9 126.68 34.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.679 -0.638 . . . . 0.0 110.73 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG13 HG22 ' A' ' 70' ' ' ILE . 27.1 m -152.1 161.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.848 1.259 . . . . 0.0 113.169 177.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -131.61 136.03 47.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.91 0.884 . . . . 0.0 109.404 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.84 143.76 41.23 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.456 0.702 . . . . 0.0 112.149 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -135.61 -29.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.967 0.792 . . . . 0.0 111.527 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -158.39 100.32 1.65 Allowed 'General case' 0 C--N 1.341 0.226 0 C-N-CA 127.234 2.213 . . . . 0.0 105.986 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.798 HG12 HG23 ' A' ' 89' ' ' ILE . 21.3 m -93.85 136.15 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 161.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -98.17 139.09 34.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.485 ' C ' HE22 ' A' ' 87' ' ' GLN . 25.0 mmt85 -126.91 146.52 50.28 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 109.631 -168.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 164.16 58.66 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 123.111 0.564 . . . . 0.0 110.622 -173.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.34 -5.47 11.04 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.918 2.412 . . . . 0.0 113.72 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -135.95 -61.66 0.7 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.055 0.843 . . . . 0.0 110.036 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -80.68 168.19 27.13 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.317 1.847 . . . . 0.0 109.445 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.59 0.48 9.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.176 1.917 . . . . 0.0 114.167 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.76 158.36 3.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.424 1.489 . . . . 0.0 114.023 -163.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 89' ' ' ILE . 9.2 mt -115.74 106.57 14.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.328 1.051 . . . . 0.0 109.366 -158.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.485 HE22 ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -69.06 -27.53 65.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.35 173.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 178.44 158.14 0.49 Allowed 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.046 1.738 . . . . 0.0 109.343 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.798 HG23 HG12 ' A' ' 77' ' ' VAL . 90.1 mt -145.45 148.64 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 C-N-CA 125.932 1.693 . . . . 0.0 106.455 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -126.39 162.79 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.605 0.762 . . . . 0.0 109.114 168.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.01 151.97 51.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.9 m -104.69 147.57 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -56.57 91.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.22 2.208 . . . . 0.0 110.993 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.132 0 C-N-CA 124.166 0.986 . . . . 0.0 111.762 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m 64.01 108.03 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 113.782 173.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.93 84.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 123.721 0.808 . . . . 0.0 109.239 -168.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.44 114.89 3.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -128.41 -166.26 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.768 2.027 . . . . 0.0 108.976 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -152.81 108.43 3.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.329 1.052 . . . . 0.0 109.971 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 65' ' ' VAL . 18.3 m -49.54 118.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 118.247 0.476 . . . . 0.0 110.735 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -130.72 145.35 51.92 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.381 -174.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.1 mmpt? -126.49 -5.07 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.63 13.54 0.07 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.684 2.794 . . . . 0.0 115.249 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -34.7 16.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -172.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.71 -10.91 0.27 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 127.18 2.324 . . . . 0.0 116.601 -175.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 149.06 -19.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 1 C-N-CA 133.266 4.626 . . . . 0.0 110.868 159.393 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.76 -34.52 61.07 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 118.906 0.775 . . . . 0.0 112.87 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.08 -47.91 12.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.383 1.073 . . . . 0.0 110.861 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -57.52 -30.43 65.16 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.708 -0.62 . . . . 0.0 111.301 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -45.77 13.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.64 1.976 . . . . 0.0 111.038 176.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 121.811 2.096 . . . . 0.0 110.566 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.38 -61.88 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.395 1.078 . . . . 0.0 110.187 177.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -64.18 -19.69 65.49 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.431 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.37 -14.97 60.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.54 -88.59 0.34 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 169.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.77 7.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.863 2.465 . . . . 0.0 111.394 171.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -78.56 175.56 10.25 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 108.313 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.58 153.83 16.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -73.81 162.11 40.13 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.715 1.61 . . . . 0.0 113.55 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.83 177.86 8.05 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.306 1.042 . . . . 0.0 110.323 159.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -136.17 152.86 30.74 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 125.86 1.664 . . . . 0.0 109.802 171.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.501 HG23 HG11 ' A' ' 72' ' ' VAL . 31.6 mt -125.4 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.25 3.1 p90 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 29' ' ' ILE . 93.8 Cg_exo . . . . . 0 N--CA 1.462 -0.369 0 N-CA-C 115.831 1.435 . . . . 0.0 115.831 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 8' ' ' VAL . 12.7 tp -149.76 107.03 3.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.101 0.96 . . . . 0.0 109.26 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.52 133.19 47.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.084 0.553 . . . . 0.0 109.712 167.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.473 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.82 145.44 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 125.223 1.409 . . . . 0.0 107.591 178.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -104.74 106.69 17.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.911 1.684 . . . . 0.0 107.617 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.26 165.8 16.33 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-O 121.967 0.889 . . . . 0.0 111.875 -172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 125.2 28.92 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.297 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -62.91 -52.51 62.78 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.638 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.03 -32.3 72.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.832 0.742 . . . . 0.0 111.961 -173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -60.98 -75.05 0.07 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.793 -1.099 . . . . 0.0 108.626 167.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.33 -25.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-N 119.626 1.103 . . . . 0.0 113.862 -170.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.436 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 0.1 OUTLIER -50.58 -62.23 1.72 Allowed 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 125.908 1.683 . . . . 0.0 108.632 170.143 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.67 -22.88 48.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.45 -67.37 0.79 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.47 -18.83 3.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.506 2.323 . . . . 0.0 112.692 173.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 -1.18 9.42 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 125.715 1.606 . . . . 0.0 112.524 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 161.77 22.84 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.241 1.382 . . . . 0.0 110.603 160.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.06 -20.59 52.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.91 -21.17 57.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.68 1.592 . . . . 0.0 110.918 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 61.1 t80 -70.87 -53.03 16.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.261 -0.899 . . . . 0.0 111.946 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -80.69 -30.69 36.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.004 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -74.94 -39.81 61.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.101 0.96 . . . . 0.0 110.225 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 130.94 53.43 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -167.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.88 148.78 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.834 1.253 . . . . 0.0 113.277 -167.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 4' ' ' ILE . 34.8 mt -112.87 151.43 30.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.081 1.353 . . . . 0.0 107.879 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -107.49 86.67 2.34 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.632 HG22 HG13 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -65.15 113.25 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.743 -1.223 . . . . 0.0 109.14 172.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.0 t -97.78 90.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 124.786 1.235 . . . . 0.0 108.625 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.706 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.4 m -84.42 103.83 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 109.537 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 52.66 29.78 7.82 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.09 0.471 . . . . 0.0 111.078 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.98 -0.06 58.91 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 118.63 -1.095 . . . . 0.0 114.676 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -99.41 126.76 45.36 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.316 1.558 . . . . 0.0 107.705 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -104.74 108.15 19.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.283 0.492 . . . . 0.0 110.668 -159.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 65' ' ' VAL . 1.9 mp -111.08 125.77 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 108.714 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -87.86 120.09 28.85 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.518 0.727 . . . . 0.0 110.271 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.539 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.0 m -148.51 159.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 113.191 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -131.76 133.33 44.66 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.142 0.977 . . . . 0.0 109.4 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.61 134.53 51.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.296 0.998 . . . . 0.0 111.63 -171.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 -46.17 4.76 Favored 'General case' 0 CA--C 1.527 0.061 0 C-N-CA 125.182 1.393 . . . . 0.0 110.443 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.03 118.11 4.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.732 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -95.48 131.76 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 165.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -99.84 105.63 17.4 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.526 1.93 . . . . 0.0 105.884 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.0 163.85 27.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.273 1.029 . . . . 0.0 109.959 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.69 160.28 80.42 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.185 0.594 . . . . 0.0 110.508 165.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -84.86 -26.03 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.834 3.022 . . . . 0.0 113.289 -172.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -141.85 2.3 1.55 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.626 1.571 . . . . 0.0 112.306 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.18 155.43 67.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 C-N-CA 124.724 1.21 . . . . 0.0 109.15 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -78.77 62.88 8.5 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.739 2.959 . . . . 0.0 108.964 166.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -132.05 -177.81 4.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.632 1.173 . . . . 0.0 109.056 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 89' ' ' ILE . 19.5 mt -122.32 156.3 34.17 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 126.278 1.831 . . . . 0.0 108.78 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -117.48 -30.21 5.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.103 1.761 . . . . 0.0 110.808 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -178.69 162.14 1.34 Allowed 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.64 1.576 . . . . 0.0 109.803 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.732 HG23 HG12 ' A' ' 77' ' ' VAL . 72.2 mt -144.75 144.54 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -116.28 132.06 56.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.092 2.157 . . . . 0.0 106.61 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.4 157.05 31.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.33 153.61 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -57.58 98.74 0.03 OUTLIER 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.171 0.989 . . . . 0.0 110.943 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.439 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.528 -0.748 . . . . 0.0 111.226 161.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 64.8 109.8 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.664 2.785 . . . . 0.0 113.033 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.94 81.56 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.138 0.975 . . . . 0.0 108.517 -168.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.457 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.6 m120 -60.17 117.41 5.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.985 -174.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.77 -161.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 107.88 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -157.13 140.02 15.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.55 142.01 17.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-O 121.277 0.561 . . . . 0.0 110.894 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -136.2 157.7 46.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.597 173.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.0 mmpt? -135.11 -0.34 2.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.735 1.214 . . . . 0.0 112.831 169.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.13 14.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.072 1.749 . . . . 0.0 113.517 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -34.0 9.68 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.793 2.037 . . . . 0.0 115.149 -172.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.5 -25.16 0.27 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 127.484 2.469 . . . . 0.0 116.226 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp 167.36 -26.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 130.659 3.583 . . . . 0.0 109.225 158.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.46 66.56 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.21 1.386 . . . . 0.0 112.925 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.23 39.97 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -58.43 -27.89 64.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.39 -0.819 . . . . 0.0 111.619 -172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.21 23.77 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 116.752 -1.594 . . . . 0.0 113.456 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.97 -38.84 31.37 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.414 1.916 . . . . 0.0 110.164 173.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -54.14 44.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.051 0.94 . . . . 0.0 108.609 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -17.48 64.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 118.134 -0.936 . . . . 0.0 113.401 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.72 62.22 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-O 117.803 -1.094 . . . . 0.0 113.419 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.14 -85.78 0.5 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.695 1.134 . . . . 0.0 108.364 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.99 8.25 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 112.295 -170.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -100.1 174.84 5.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.756 1.222 . . . . 0.0 108.366 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.8 p90 -158.32 153.31 21.39 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -74.04 156.25 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.8 1.667 . . . . 0.0 112.557 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.03 178.09 7.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.058 0.943 . . . . 0.0 110.264 162.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -135.69 154.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 125.29 1.436 . . . . 0.0 109.853 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 63' ' ' ILE . 43.0 mt -126.17 97.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo . . . . . 0 CA--C 1.54 0.778 0 CA-C-O 120.589 0.162 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -152.56 99.85 2.5 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.233 0.613 . . . . 0.0 110.671 -169.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.69 133.36 46.56 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.26 138.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -86.44 117.93 25.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.366 2.267 . . . . 0.0 108.831 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.53 168.38 19.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 111.648 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.3 133.28 38.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.286 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.79 -53.71 36.67 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.174 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.71 -26.35 65.23 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.544 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.1 ttmm -58.52 -76.21 0.04 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 162.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.456 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -57.26 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -63.89 0.97 Allowed 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 126.019 1.727 . . . . 0.0 108.641 168.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -56.61 -20.74 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 3.4 mmt -84.47 -67.96 0.76 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -175.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -57.15 -13.99 3.59 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.375 1.443 . . . . 0.0 113.778 176.47 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.97 -8.33 52.43 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.208 -2.33 . . . . 0.0 115.174 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER -115.98 11.27 15.36 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 122.643 2.474 . . . . 0.0 117.546 -174.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.93 -38.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 130.409 3.484 . . . . 0.0 115.062 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -52.56 -14.34 0.49 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 128.742 2.817 . . . . 0.0 112.176 163.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 51' ' ' GLN . 73.2 t80 -69.95 -51.63 31.11 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 120.77 -1.206 . . . . 0.0 111.836 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -78.5 -29.2 46.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.087 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 t -80.0 -41.58 25.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.431 1.092 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.42 114.28 21.57 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -168.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.01 143.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.279 2.232 . . . . 0.0 113.419 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 56' ' ' PHE . 10.0 mt -109.76 160.59 16.2 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.3 1.04 . . . . 0.0 109.057 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.3 13.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 30' ' ' ILE . 4.3 mm -89.98 106.46 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.12 1.368 . . . . 0.0 107.676 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.1 t -94.31 79.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -171.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.76 95.68 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.139 1.376 . . . . 0.0 108.361 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 55.76 26.55 9.62 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.07 0.948 . . . . 0.0 112.508 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 -7.35 30.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.75 1.167 . . . . 0.0 114.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -96.72 121.06 38.15 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 119.223 1.512 . . . . 0.0 108.218 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.67 109.17 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.531 1.132 . . . . 0.0 111.179 -164.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 128.87 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -169.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.4 mmtm -84.97 123.36 30.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.661 0.784 . . . . 0.0 110.944 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 70' ' ' ILE . 32.3 m -149.94 160.63 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 124.363 1.04 . . . . 0.0 113.771 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -137.22 136.41 38.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.876 1.27 . . . . 0.0 109.532 -178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 152.36 15.55 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.54 -43.94 0.83 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.105 1.362 . . . . 0.0 111.099 171.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -141.15 88.55 2.17 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -85.39 139.52 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 160.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -121.73 117.98 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 127.023 2.129 . . . . 0.0 106.406 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -86.3 164.76 16.92 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.719 0.807 . . . . 0.0 110.459 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 161.01 55.63 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 123.894 0.878 . . . . 0.0 110.508 169.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -84.17 -6.62 10.23 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.392 2.728 . . . . 0.0 113.627 -171.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -144.28 -57.16 0.37 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.598 1.09 . . . . 0.0 110.735 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -74.32 155.56 87.8 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.274 1.43 . . . . 0.0 109.85 170.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 19.34 0.77 Allowed 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.044 3.162 . . . . 0.0 113.602 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -77.05 -164.26 0.43 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.853 1.661 . . . . 0.0 110.6 -175.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.516 HD13 HD11 ' A' ' 89' ' ' ILE . 11.2 mt -126.81 160.14 31.77 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.592 1.157 . . . . 0.0 110.598 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -126.7 -28.44 2.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 111.615 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -170.55 157.77 6.01 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 77' ' ' VAL . 65.9 mt -145.36 146.08 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.691 1.196 . . . . 0.0 109.077 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.04 129.32 47.8 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.887 2.075 . . . . 0.0 106.484 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.06 149.25 41.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 170.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.49 153.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -61.88 91.48 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.327 1.451 . . . . 0.0 110.971 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.592 171.639 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 CA--C 1.533 0.295 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m 57.49 101.27 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.445 2.298 . . . . 0.0 114.037 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.42 85.21 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -167.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.68 113.79 2.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.55 -161.96 0.85 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.387 1.475 . . . . 0.0 108.127 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.43 137.64 12.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.051 2.14 . . . . 0.0 105.415 170.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.87 143.95 15.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 121.798 -0.564 . . . . 0.0 111.051 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.48 150.21 35.16 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.5 mmpt? -127.19 2.59 6.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.248 1.819 . . . . 0.0 112.196 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.535 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 47.3 mt-10 -68.05 7.29 0.57 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.204 2.602 . . . . 0.0 115.588 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -29.84 17.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -162.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.75 43.98 0.01 OUTLIER Glycine 0 CA--C 1.545 1.928 0 C-N-CA 129.726 3.536 . . . . 0.0 117.942 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER 74.82 -19.46 0.38 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 130.674 3.59 . . . . 0.0 111.847 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.08 -68.31 1.75 Allowed Glycine 0 C--N 1.343 0.972 0 C-N-CA 126.357 1.932 . . . . 0.0 111.267 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . . . -56.3 -26.33 51.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.949 1.374 . . . . 0.0 112.332 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -69.92 -35.02 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.779 -0.575 . . . . 0.0 110.218 -171.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.48 -17.85 23.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.94 1.696 . . . . 0.0 112.076 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 mtt85 -78.47 -46.37 19.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.01 1.277 . . . . 0.0 109.984 174.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.25 -51.98 46.51 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.84 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -21.59 66.02 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.993 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -16.51 61.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.36 15.3 13.0 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.343 1.457 . . . . 0.0 112.597 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 66.62 7.93 5.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.953 0.901 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 41' ' ' GLU . 14.0 mtmm -84.6 179.14 7.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.106 1.362 . . . . 0.0 107.377 165.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.3 p90 -163.74 154.54 13.73 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -74.09 156.58 47.13 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.481 1.454 . . . . 0.0 111.809 -172.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.36 177.5 8.06 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.648 0.779 . . . . 0.0 110.01 162.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.3 tp -133.62 154.75 39.22 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 124.688 1.195 . . . . 0.0 109.384 172.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 63' ' ' ILE . 44.5 mt -123.73 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -168.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 29' ' ' ILE . 64.7 Cg_exo . . . . . 0 CA--C 1.534 0.525 0 N-CA-C 116.138 1.553 . . . . 0.0 116.138 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tp -154.22 106.45 2.79 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.641 1.177 . . . . 0.0 109.712 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.52 135.85 44.04 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.91 134.56 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 125.808 1.643 . . . . 0.0 107.889 -176.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CG ' ' HE2' ' A' ' 25' ' ' LYS . 25.4 tt0 -83.93 114.87 21.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.426 2.69 . . . . 0.0 109.102 173.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.49 166.65 20.87 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.601 0.761 . . . . 0.0 111.34 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 10.2 t70 -74.57 132.57 41.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.628 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -50.93 48.2 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.335 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -29.07 68.3 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.238 0.472 . . . . 0.0 111.198 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 21.8 ttmm -59.83 -75.31 0.06 Allowed 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 166.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.0 p -57.81 -26.63 28.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 tpp -50.61 -62.49 1.57 Allowed 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.822 0.849 . . . . 0.0 108.878 170.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.22 -22.48 41.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -81.25 -66.64 0.86 Allowed 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.11 -17.76 3.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.539 2.336 . . . . 0.0 112.832 173.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.11 -5.99 30.83 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 125.401 1.481 . . . . 0.0 112.474 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 157.24 34.92 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.334 1.425 . . . . 0.0 110.198 166.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -21.03 61.62 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.629 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.38 -23.59 50.11 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.54 1.536 . . . . 0.0 111.55 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 50.2 t80 -71.96 -52.97 14.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.321 -0.862 . . . . 0.0 111.994 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -76.27 -30.07 57.67 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 t -80.71 -40.53 25.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.27 1.028 . . . . 0.0 110.766 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.17 120.61 33.72 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -166.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -51.46 146.86 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.081 1.752 . . . . 0.0 114.416 -166.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.4 mt -109.86 158.22 18.4 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.008 1.723 . . . . 0.0 107.493 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -115.98 98.99 6.95 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.797 HG13 HD11 ' A' ' 30' ' ' ILE . 3.6 mm -76.55 110.89 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 121.384 -0.822 . . . . 0.0 108.951 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.73 81.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.85 96.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.232 0 C-N-CA 125.675 1.59 . . . . 0.0 108.364 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t70 55.19 27.84 10.21 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.932 0.893 . . . . 0.0 112.29 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.38 -2.3 37.22 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 118.476 -1.18 . . . . 0.0 114.697 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -100.72 124.75 46.79 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.498 1.649 . . . . 0.0 107.988 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.32 108.01 19.07 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.709 0.804 . . . . 0.0 110.832 -159.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.51 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.89 126.57 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -166.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.3 mmtm -83.57 124.62 30.95 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 122.932 0.493 . . . . 0.0 110.214 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -153.83 162.37 2.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 O-C-N 124.852 1.345 . . . . 0.0 111.733 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -148.03 142.74 26.65 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 122.055 -0.403 . . . . 0.0 110.247 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 128.75 37.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.787 -170.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -115.64 -18.49 10.86 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.166 0.916 . . . . 0.0 111.707 167.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -151.36 98.64 2.56 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.647 HG12 HG23 ' A' ' 89' ' ' ILE . 34.2 m -95.24 144.93 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 162.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.97 112.11 20.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 126.366 1.866 . . . . 0.0 106.382 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -81.83 164.59 21.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.97 1.308 . . . . 0.0 110.804 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.85 66.22 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.139 0.576 . . . . 0.0 110.677 162.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -83.88 -25.69 2.26 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.919 3.08 . . . . 0.0 113.218 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 10.68 0.86 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.048 0.939 . . . . 0.0 112.697 -176.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -123.45 157.56 61.47 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 125.144 1.377 . . . . 0.0 108.862 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.23 55.15 5.25 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.113 3.208 . . . . 0.0 109.739 167.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -126.46 -176.11 3.58 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.612 1.165 . . . . 0.0 109.312 -175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 89' ' ' ILE . 14.9 mt -127.94 159.88 33.58 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 125.763 1.625 . . . . 0.0 108.044 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.22 -25.26 4.9 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.426 1.49 . . . . 0.0 110.708 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -177.82 158.33 1.28 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 110.228 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 86' ' ' LEU . 87.3 mt -143.77 148.73 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 124.116 0.966 . . . . 0.0 108.772 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.43 117.42 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.406 2.282 . . . . 0.0 106.435 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.52 140.98 39.67 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.34 148.29 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-N 119.393 0.997 . . . . 0.0 108.943 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -59.85 91.94 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.474 1.91 . . . . 0.0 110.629 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.772 -1.585 . . . . 0.0 111.474 169.517 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 62' ' ' THR . 22.0 m 68.0 108.31 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.35 2.66 . . . . 0.0 112.317 170.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -105.49 83.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 -169.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.484 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.9 m120 -59.84 117.97 5.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.082 0.553 . . . . 0.0 109.543 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.95 -161.19 0.94 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.724 1.61 . . . . 0.0 108.082 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.4 139.96 13.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.858 2.063 . . . . 0.0 106.143 167.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 40' ' ' ILE . 3.4 m -63.21 134.37 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 O-C-N 121.62 -0.675 . . . . 0.0 111.118 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -127.64 156.78 41.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.747 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.7 mmpt? -134.83 -2.88 2.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.264 1.426 . . . . 0.0 113.061 167.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.23 12.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.903 2.481 . . . . 0.0 115.127 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -34.59 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -172.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.97 -16.87 0.05 OUTLIER Glycine 0 CA--C 1.532 1.144 0 C-N-CA 128.12 2.771 . . . . 0.0 117.591 -174.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 160.89 -34.16 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 1 C-N-CA 132.402 4.281 . . . . 0.0 107.805 159.643 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.83 -33.32 49.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.14 1.829 . . . . 0.0 113.988 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -51.24 12.76 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.439 1.12 . . . . 0.0 110.385 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 m -58.37 -23.52 57.22 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.34 -0.85 . . . . 0.0 112.526 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -36.23 14.2 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 126.223 1.809 . . . . 0.0 112.688 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.86 -40.56 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 121.445 1.929 . . . . 0.0 110.399 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.62 -59.52 5.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.764 1.226 . . . . 0.0 109.944 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -64.46 -19.15 65.38 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.505 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -15.45 60.24 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.95 -92.84 0.22 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 167.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -165.74 9.92 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.769 2.427 . . . . 0.0 111.164 169.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -75.31 174.37 9.63 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.796 1.639 . . . . 0.0 108.471 174.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.6 p90 -159.35 151.74 17.62 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.75 158.91 49.61 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.144 1.229 . . . . 0.0 113.347 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.71 179.41 7.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.253 1.021 . . . . 0.0 110.631 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.46 160.81 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 124.546 1.138 . . . . 0.0 109.394 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.582 HD11 HG13 ' A' ' 63' ' ' ILE . 47.1 mt -131.14 95.26 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CD1' HG12 ' A' ' 92' ' ' VAL . 1.2 p90 . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -171.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo . . . . . 0 CA--C 1.543 0.926 0 N-CA-C 111.8 -0.115 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -152.44 102.31 2.73 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.651 0.78 . . . . 0.0 109.799 -171.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.32 133.83 43.98 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.534 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -140.61 127.44 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -174.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.48 122.8 26.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.378 2.671 . . . . 0.0 109.432 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.34 169.33 17.87 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.84 0.829 . . . . 0.0 113.122 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.28 131.69 39.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.757 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.09 -51.25 62.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.224 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.43 -40.71 78.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.294 0.497 . . . . 0.0 111.392 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 50' ' ' MET . 1.0 OUTLIER -59.04 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.5 p -55.29 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 tpp -49.94 -63.37 1.13 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.033 1.333 . . . . 0.0 108.787 172.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.39 -19.58 48.2 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.2 mmt -83.71 -69.3 0.65 Allowed 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.543 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -51.66 -19.89 1.78 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.871 2.868 . . . . 0.0 113.896 176.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -57.61 -19.46 26.17 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.377 1.471 . . . . 0.0 113.028 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.75 45.44 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-O 121.402 0.62 . . . . 0.0 112.384 -171.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.22 75.12 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.065 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -5.64 36.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.882 1.673 . . . . 0.0 111.911 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 17.7 t80 -82.16 -53.63 5.92 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.725 167.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -69.36 -32.22 71.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 118.134 -1.426 . . . . 0.0 110.924 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -82.79 -34.58 26.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.682 1.193 . . . . 0.0 111.963 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.09 115.1 22.46 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.526 1.057 . . . . 0.0 108.17 -166.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.14 142.2 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 127.35 2.26 . . . . 0.0 113.346 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' A' ' 56' ' ' PHE . 10.2 mt -114.33 156.1 25.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.485 1.114 . . . . 0.0 108.9 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.7 m -110.25 99.63 8.64 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.582 HG13 HD11 ' A' ' 30' ' ' ILE . 4.6 mm -78.45 107.67 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 121.026 -1.046 . . . . 0.0 108.425 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.484 ' HB ' HD22 ' A' ' 5' ' ' ASN . 40.0 t -91.92 84.74 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 -177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 40' ' ' ILE . 7.4 m -76.71 97.84 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 -176.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.43 29.83 17.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.88 0.372 . . . . 0.0 111.787 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.93 -3.46 52.29 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.696 -1.058 . . . . 0.0 114.485 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -102.43 123.1 45.59 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.114 1.457 . . . . 0.0 109.258 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.24 110.58 23.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.953 0.901 . . . . 0.0 111.084 -162.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.5 131.9 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -172.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -88.23 129.31 35.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.65 1.18 . . . . 0.0 110.756 173.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 24.1 m -153.95 160.31 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.671 1.988 . . . . 0.0 111.091 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -131.89 132.78 43.93 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.854 0.862 . . . . 0.0 109.315 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.05 134.12 56.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.388 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -113.68 -31.56 6.43 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.946 0.779 . . . . 0.0 112.153 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -155.22 109.39 2.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.085 1.354 . . . . 0.0 107.489 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 89' ' ' ILE . 34.9 m -97.01 146.15 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 164.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.12 115.67 20.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -80.03 166.1 21.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.198 0.999 . . . . 0.0 111.439 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.7 161.14 47.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 122.994 0.518 . . . . 0.0 110.808 163.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.55 -26.27 3.29 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.403 2.736 . . . . 0.0 113.38 -173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -139.67 -6.68 1.3 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.195 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -114.74 155.72 45.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 124.769 1.227 . . . . 0.0 109.055 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 56.79 5.81 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.893 3.062 . . . . 0.0 110.154 171.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -124.81 -170.77 2.22 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 125.146 1.378 . . . . 0.0 109.949 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -129.04 144.29 51.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.163 1.785 . . . . 0.0 108.083 -175.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.92 -32.37 11.35 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.044 1.738 . . . . 0.0 110.241 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -176.46 157.94 1.74 Allowed 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.29 1.436 . . . . 0.0 109.091 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.71 HG23 HG12 ' A' ' 77' ' ' VAL . 80.1 mt -145.9 148.84 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -119.29 156.44 29.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 164.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.74 157.16 39.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 165.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 31' ' ' TYR . 3.2 m -119.39 143.61 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -56.3 95.86 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.464 1.906 . . . . 0.0 112.796 -164.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.254 1.327 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.711 166.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.553 1.077 0 CA-C-O 123.419 1.58 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -84.77 127.98 34.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 128.421 2.689 . . . . 0.0 108.015 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -124.56 81.35 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -168.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.455 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -62.25 116.17 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.306 1.042 . . . . 0.0 109.368 -170.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -122.48 -161.39 0.94 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.426 1.09 . . . . 0.0 108.533 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -154.46 140.63 18.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.4 139.43 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.913 0.387 . . . . 0.0 110.221 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -140.34 145.36 37.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.061 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -125.44 3.03 7.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.865 0.866 . . . . 0.0 112.826 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.17 15.1 1.24 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.377 1.871 . . . . 0.0 113.023 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.0 33.5 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.149 2.18 . . . . 0.0 115.863 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.56 22.64 0.03 OUTLIER Glycine 0 CA--C 1.543 1.835 0 C-N-CA 128.242 2.829 . . . . 0.0 118.628 -171.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 124.86 -30.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 136.993 6.117 . . . . 0.0 109.802 168.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.3 98.31 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.438 1.018 . . . . 0.0 113.145 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.48 54.83 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 117.815 0.807 . . . . 0.0 111.222 172.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -60.44 -27.25 67.36 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.613 -0.679 . . . . 0.0 111.434 -173.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -35.0 16.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.062 -1.447 . . . . 0.0 111.645 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -73.65 -39.66 64.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 121.092 1.769 . . . . 0.0 109.604 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -56.23 17.67 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.818 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.977 0.808 . . . . 0.0 111.665 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.28 -11.62 60.32 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.5 13.57 8.78 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.474 1.51 . . . . 0.0 112.852 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 64.68 10.98 6.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.521 0.728 . . . . 0.0 112.949 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -82.41 174.64 10.91 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 163.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' HZ ' HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -161.78 154.93 17.52 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.81 161.43 45.96 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.08 1.853 . . . . 0.0 113.915 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.46 7.14 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.936 160.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' HB2' ' A' ' 37' ' ' PRO . 9.3 tp -138.28 153.81 27.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.721 1.608 . . . . 0.0 110.424 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 63' ' ' ILE . 48.3 mt -131.71 110.14 16.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 126.574 1.95 . . . . 0.0 105.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.271 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.448 ' HB2' HD11 ' A' ' 29' ' ' ILE . 24.8 Cg_endo . . . . . 0 CA--C 1.539 0.734 0 N-CA-C 113.502 0.539 . . . . 0.0 113.502 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.67 100.72 1.95 Allowed 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.323 1.049 . . . . 0.0 109.653 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -71.16 139.54 50.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.032 -0.418 . . . . 0.0 110.161 174.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.426 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -135.68 146.4 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 C-N-CA 125.3 1.44 . . . . 0.0 107.875 178.046 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.66 115.91 31.34 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 128.589 2.756 . . . . 0.0 108.779 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 4' ' ' ILE . 2.6 pt? -134.76 169.4 17.4 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.323 0.649 . . . . 0.0 111.835 -176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.25 132.23 39.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.768 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -52.0 46.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.687 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.52 -27.39 67.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.106 0.866 . . . . 0.0 112.194 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -61.2 -81.81 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.42 1.088 . . . . 0.0 108.829 164.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -48.62 -28.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -172.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 tpt -48.37 -66.47 0.4 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 125.726 1.61 . . . . 0.0 110.394 166.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.53 -20.55 5.09 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 172.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.421 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 4.2 mmt -87.2 -65.37 1.02 Allowed 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 117.778 -1.106 . . . . 0.0 108.197 -173.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.1 pp0? -60.74 -8.28 2.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 121.45 1.932 . . . . 0.0 113.656 173.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 1.83 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.096 1.358 . . . . 0.0 112.216 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 156.78 41.92 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.607 1.549 . . . . 0.0 109.498 160.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.56 62.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.907 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.42 -18.13 48.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.948 2.099 . . . . 0.0 112.2 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 52.4 t80 -75.76 -47.16 27.07 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 122.498 1.142 . . . . 0.0 111.788 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -70.31 -37.71 74.81 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.249 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -80.94 -51.64 8.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.745 1.618 . . . . 0.0 109.93 -174.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.65 123.98 49.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.77 146.5 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.331 1.452 . . . . 0.0 111.991 -165.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 29.1 mt -106.24 152.87 22.95 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 125.869 1.668 . . . . 0.0 108.414 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 m -111.99 100.65 9.05 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.709 0.686 . . . . 0.0 109.475 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.874 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -78.37 110.54 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 120.985 -1.072 . . . . 0.0 108.707 176.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.455 ' HB ' HD22 ' A' ' 5' ' ' ASN . 47.3 t -93.38 82.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 70' ' ' ILE . 10.8 m -74.06 96.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.771 1.628 . . . . 0.0 107.784 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 56.85 25.95 11.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.749 0.82 . . . . 0.0 112.448 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.23 34.07 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.767 1.175 . . . . 0.0 114.497 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -97.49 122.85 41.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.167 1.483 . . . . 0.0 108.18 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.34 109.58 22.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.768 0.827 . . . . 0.0 111.114 -162.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 125.16 70.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -169.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -83.81 122.54 28.82 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.317 0.647 . . . . 0.0 110.74 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 70' ' ' ILE . 24.9 m -152.2 161.32 3.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 O-C-N 124.464 1.103 . . . . 0.0 112.277 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -143.39 143.6 31.71 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.693 -0.63 . . . . 0.0 109.79 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -77.55 118.48 20.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.831 -163.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.86 -14.09 14.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.388 1.055 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -158.13 103.69 1.85 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.511 1.524 . . . . 0.0 108.102 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.818 HG12 HG23 ' A' ' 89' ' ' ILE . 17.4 m -98.41 137.35 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 161.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -107.4 109.28 20.97 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.975 1.71 . . . . 0.0 106.851 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -78.32 161.43 27.22 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.652 0.781 . . . . 0.0 109.94 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.29 159.96 77.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.143 0.577 . . . . 0.0 110.533 168.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.15 -27.25 1.57 Allowed 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 123.741 2.96 . . . . 0.0 113.263 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -144.42 7.3 1.32 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.252 1.421 . . . . 0.0 112.145 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -125.53 156.11 71.05 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.177 1.391 . . . . 0.0 109.03 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.52 63.17 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.818 3.012 . . . . 0.0 109.152 167.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -133.51 -176.28 4.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.698 1.199 . . . . 0.0 109.801 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 HD11 ' A' ' 89' ' ' ILE . 13.1 mt -124.49 156.72 36.8 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.135 1.774 . . . . 0.0 108.712 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -117.16 -32.56 4.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.686 1.594 . . . . 0.0 110.089 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -177.34 158.06 1.4 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.783 1.633 . . . . 0.0 109.899 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.818 HG23 HG12 ' A' ' 77' ' ' VAL . 86.9 mt -142.83 144.47 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.001 0.92 . . . . 0.0 108.606 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.22 134.04 55.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.276 2.23 . . . . 0.0 105.973 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -122.12 151.73 40.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 167.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.76 150.5 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 93.99 0.02 OUTLIER 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.862 1.665 . . . . 0.0 110.52 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 116.337 -1.792 . . . . 0.0 112.365 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.415 HG23 ' HB ' ' A' ' 62' ' ' THR . 3.7 m 65.43 120.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.116 2.566 . . . . 0.0 113.82 168.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.514 HD11 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -115.36 79.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 123.891 0.876 . . . . 0.0 109.29 -165.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER -59.75 123.95 18.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -174.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -132.95 -166.2 1.72 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.045 1.338 . . . . 0.0 110.162 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -154.83 109.14 2.96 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.472 1.509 . . . . 0.0 109.775 -168.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.49 HG13 ' HB ' ' A' ' 65' ' ' VAL . 33.7 m -55.3 112.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.171 0.51 . . . . 0.0 110.489 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -127.07 139.14 53.21 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.197 -171.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 9.9 mmpt? -126.31 3.27 7.04 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.86 0.725 . . . . 0.0 112.919 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.74 16.61 0.37 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.876 2.07 . . . . 0.0 112.915 -174.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -69.05 0.15 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 126.129 1.772 . . . . 0.0 113.56 -158.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 10.04 -76.01 0.0 OUTLIER Glycine 0 C--N 1.342 0.912 1 C-N-CA 131.185 4.231 . . . . 0.0 115.541 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -155.69 -17.87 0.11 Allowed 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.519 -0.989 . . . . 0.0 110.125 159.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.86 -42.82 80.75 Favored Glycine 0 C--N 1.346 1.127 0 C-N-CA 126.317 1.913 . . . . 0.0 112.799 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -62.84 -50.29 71.54 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.054 1.427 . . . . 0.0 110.222 173.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -62.61 -16.48 56.8 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.454 0.702 . . . . 0.0 112.584 -170.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -28.53 12.91 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.146 -1.407 . . . . 0.0 113.689 177.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -71.62 -37.18 70.93 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.038 1.744 . . . . 0.0 109.567 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -66.23 -58.13 6.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.544 1.138 . . . . 0.0 109.682 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -58.92 -28.71 66.47 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 118.594 0.634 . . . . 0.0 111.98 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.89 -23.04 63.19 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.7 16.45 17.46 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.824 1.249 . . . . 0.0 111.984 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.95 11.89 7.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.533 0.733 . . . . 0.0 112.824 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.4 mtmm -85.26 175.06 9.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 167.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -160.44 152.06 16.41 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.82 159.3 48.64 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.464 1.443 . . . . 0.0 113.159 -169.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 177.44 8.85 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.34 1.056 . . . . 0.0 110.568 164.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.8 tp -134.85 156.14 39.42 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 C-N-CA 124.756 1.223 . . . . 0.0 109.397 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 63' ' ' ILE . 68.1 mt -125.3 80.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 104.442 -2.429 . . . . 0.0 104.442 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 N--CA 1.453 -0.291 0 O-C-N 123.302 0.376 . . . . 0.0 110.423 176.135 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HB2' HD11 ' A' ' 29' ' ' ILE . 23.4 Cg_exo . . . . . 0 N--CA 1.451 -1.012 0 N-CA-C 117.228 1.972 . . . . 0.0 117.228 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.05 103.65 3.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -69.34 138.29 53.61 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.532 HD11 HG13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -142.77 141.04 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.402 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 3.1 tt0 -104.1 111.19 23.67 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.07 1.748 . . . . 0.0 107.578 -168.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -129.19 166.1 20.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.605 0.762 . . . . 0.0 112.511 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.69 132.73 45.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.957 0.903 . . . . 0.0 109.491 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -70.62 -50.71 34.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.923 -0.561 . . . . 0.0 109.935 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.09 -28.41 68.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.5 0.591 . . . . 0.0 111.335 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.6 ttmm -59.94 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.347 0.466 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 163.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.1 p -54.18 -26.97 16.03 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -167.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -63.24 1.16 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.147 1.779 . . . . 0.0 109.653 169.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -56.64 -21.87 30.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.704 1.138 . . . . 0.0 113.867 173.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.1 mmm -85.18 -65.88 0.96 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.458 -171.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.17 -8.49 3.61 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 121.104 1.774 . . . . 0.0 113.885 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -1.04 17.73 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.792 1.637 . . . . 0.0 112.256 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 157.5 37.16 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.574 1.533 . . . . 0.0 109.94 159.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.68 60.1 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -57.25 -20.28 26.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.437 1.895 . . . . 0.0 111.273 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 76.1 t80 -68.33 -56.09 9.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.907 -1.121 . . . . 0.0 111.697 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -77.36 -28.24 52.88 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.607 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -76.54 -50.23 14.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.844 1.258 . . . . 0.0 110.211 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.78 103.43 12.51 Favored 'General case' 0 C--N 1.344 0.336 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -161.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 71' ' ' LYS . 7.7 p -40.53 124.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 128.074 2.55 . . . . 0.0 113.323 -170.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 4' ' ' ILE . 63.6 mt -88.8 151.75 22.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.797 1.239 . . . . 0.0 107.712 -171.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.415 ' HB ' HG23 ' A' ' 3' ' ' THR . 4.4 m -109.76 99.33 8.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.1 108.86 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.01 82.8 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' HB ' HG13 ' A' ' 8' ' ' VAL . 3.2 m -75.87 97.75 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 C-N-CA 126.423 1.889 . . . . 0.0 106.234 -174.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.21 23.88 9.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.523 0.729 . . . . 0.0 112.265 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.94 -10.35 29.56 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.771 -1.016 . . . . 0.0 114.673 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -97.93 128.94 44.83 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.047 1.423 . . . . 0.0 109.108 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -97.59 110.81 23.3 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.503 0.721 . . . . 0.0 111.518 -163.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.49 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -115.7 128.97 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -170.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HD2' HG22 ' A' ' 60' ' ' VAL . 4.6 mmtm -88.75 126.04 35.15 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.19 0.996 . . . . 0.0 110.775 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG13 HG22 ' A' ' 70' ' ' ILE . 26.3 m -152.49 161.11 2.95 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 C-N-CA 125.786 1.635 . . . . 0.0 111.088 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -133.26 134.06 43.45 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.625 0.77 . . . . 0.0 109.525 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 139.86 57.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.349 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -118.17 -43.24 2.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.966 0.906 . . . . 0.0 110.448 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -146.75 105.74 3.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.636 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -89.96 143.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 161.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.06 114.49 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 -79.08 162.17 26.04 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.213 0.53 . . . . 0.0 110.092 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 160.62 70.55 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 123.79 0.836 . . . . 0.0 110.58 170.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.28 -7.7 9.91 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.291 2.661 . . . . 0.0 113.333 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -143.48 -57.46 0.4 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.617 1.099 . . . . 0.0 111.039 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 14.7 ptmt -78.63 158.0 76.41 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.228 1.811 . . . . 0.0 109.766 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.54 16.18 1.11 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.694 2.93 . . . . 0.0 114.347 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.86 -169.76 0.5 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.381 1.472 . . . . 0.0 111.566 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 89' ' ' ILE . 10.9 mt -121.57 155.25 35.43 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 126.875 2.07 . . . . 0.0 108.776 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.0 -37.3 7.01 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.931 1.692 . . . . 0.0 110.155 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -178.5 157.74 1.02 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.872 1.669 . . . . 0.0 108.934 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 77' ' ' VAL . 81.9 mt -144.48 148.22 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -122.38 154.21 38.0 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.599 0.76 . . . . 0.0 109.128 168.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.99 148.02 50.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.26 144.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.53 99.66 0.04 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.425 1.49 . . . . 0.0 110.089 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.271 168.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m 67.46 103.77 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.168 2.987 . . . . 0.0 112.073 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.72 82.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -166.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.04 115.32 3.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -121.64 -161.87 0.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.926 1.69 . . . . 0.0 108.095 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.1 139.72 12.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.777 2.031 . . . . 0.0 106.217 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.12 141.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 123.394 0.678 . . . . 0.0 111.976 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.89 149.57 35.55 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 175.271 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.6 mmpt? -131.21 -5.72 3.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.264 1.825 . . . . 0.0 113.52 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.7 pm0 -69.92 15.54 0.08 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.271 2.628 . . . . 0.0 114.943 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -32.97 17.72 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 -169.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.74 -3.92 0.02 OUTLIER Glycine 0 CA--C 1.546 1.992 0 C-N-CA 128.396 2.903 . . . . 0.0 118.648 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 136.41 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.809 5.244 . . . . 0.0 110.451 166.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.51 -46.4 92.04 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.285 0.948 . . . . 0.0 112.571 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -64.48 -43.55 93.82 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 121.989 0.9 . . . . 0.0 109.889 172.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -27.37 67.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.727 0.811 . . . . 0.0 111.308 -167.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -43.45 12.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 116.498 -1.715 . . . . 0.0 111.419 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.24 -35.6 79.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.563 1.983 . . . . 0.0 111.577 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -59.06 3.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.034 -175.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -65.11 -18.56 65.4 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.074 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.31 60.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 171.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.31 19.21 11.43 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.526 1.53 . . . . 0.0 112.118 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.84 6.21 4.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.143 0.977 . . . . 0.0 113.44 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -84.47 176.87 8.37 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.535 1.134 . . . . 0.0 108.577 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.8 p90 -159.66 152.43 17.96 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.2 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.888 1.725 . . . . 0.0 112.07 -173.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.55 179.94 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 110.676 163.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -139.0 156.8 28.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 124.64 1.176 . . . . 0.0 109.928 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.803 HD11 HG13 ' A' ' 63' ' ' ILE . 49.1 mt -126.22 88.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.613 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.0 Cg_exo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 115.153 1.174 . . . . 0.0 115.153 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -146.8 101.63 3.46 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.613 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.56 135.36 45.57 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.437 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.42 132.58 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.894 1.677 . . . . 0.0 107.626 -174.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.62 118.84 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 127.993 2.517 . . . . 0.0 108.614 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.99 166.33 23.91 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.793 0.806 . . . . 0.0 110.881 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 131.99 39.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.374 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.86 -49.52 74.55 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 123.595 0.758 . . . . 0.0 109.67 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.56 -36.49 82.84 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.53 0.604 . . . . 0.0 111.845 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -74.28 0.07 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 170.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.7 p -58.87 -26.4 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -169.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -61.07 2.38 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.524 1.53 . . . . 0.0 108.109 171.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -57.42 -23.84 51.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.687 1.131 . . . . 0.0 113.972 173.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.7 mmt -81.01 -68.79 0.66 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 119.073 0.851 . . . . 0.0 109.758 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.82 -7.03 3.12 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.758 1.163 . . . . 0.0 113.583 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 -3.96 23.55 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 125.035 1.334 . . . . 0.0 112.613 172.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 159.21 33.78 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.38 1.446 . . . . 0.0 110.831 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.95 60.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.11 -20.89 28.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.281 1.432 . . . . 0.0 111.783 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 75.4 t80 -71.51 -51.87 21.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.191 -0.943 . . . . 0.0 112.179 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -81.7 -29.05 33.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.674 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 t -85.22 -22.89 28.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.707 1.203 . . . . 0.0 111.847 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 127.61 34.62 Favored 'General case' 0 C--N 1.343 0.309 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -175.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.04 145.47 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 126.001 1.72 . . . . 0.0 112.931 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 56' ' ' PHE . 19.7 mt -113.02 157.09 21.97 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 107.831 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 m -110.27 99.56 8.59 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 30' ' ' ILE . 4.9 mm -74.77 111.35 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 O-C-N 120.864 -1.148 . . . . 0.0 108.562 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.4 84.65 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 18.6 m -75.5 99.94 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.271 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 55.78 30.29 15.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 118.267 0.485 . . . . 0.0 111.803 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.0 -1.12 57.66 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.71 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 6.1 mtmt -102.35 124.99 48.9 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.226 1.513 . . . . 0.0 108.03 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.84 107.38 18.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.276 0.63 . . . . 0.0 111.198 -158.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.467 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.32 130.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -169.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 13.2 mmtm -84.54 127.92 34.31 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.734 0.814 . . . . 0.0 111.191 173.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 70' ' ' ILE . 31.3 m -154.21 164.49 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 125.144 1.378 . . . . 0.0 112.7 174.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.56 137.72 21.76 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.18 154.65 19.17 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -165.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -129.99 -34.58 1.68 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 165.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.44 93.4 2.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.676 HG12 HG23 ' A' ' 89' ' ' ILE . 32.7 m -84.71 140.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 158.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -119.03 110.77 17.49 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.014 2.126 . . . . 0.0 105.805 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -77.31 165.25 24.71 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.359 0.664 . . . . 0.0 109.589 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 156.32 39.25 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 164.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -80.99 -16.13 10.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.453 2.768 . . . . 0.0 112.964 -169.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -148.59 5.35 0.7 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 112.227 -177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -133.86 158.76 74.68 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.408 1.483 . . . . 0.0 108.748 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.08 16.09 0.7 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.798 2.999 . . . . 0.0 113.498 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -83.83 -170.78 3.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.544 1.538 . . . . 0.0 110.709 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 89' ' ' ILE . 22.0 mt -119.01 163.69 16.58 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.532 1.933 . . . . 0.0 109.874 173.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.07 -35.2 2.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 127.678 2.391 . . . . 0.0 110.603 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.63 157.42 4.7 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 124.847 1.259 . . . . 0.0 109.884 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.676 HG23 HG12 ' A' ' 77' ' ' VAL . 87.9 mt -145.54 148.96 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -125.34 160.88 28.26 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.397 0.679 . . . . 0.0 109.783 165.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.38 142.56 43.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.27 148.58 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.609 1.095 . . . . 0.0 108.608 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -57.54 94.44 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.858 2.063 . . . . 0.0 109.847 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.867 176.727 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.423 HG23 ' HB ' ' A' ' 62' ' ' THR . 2.6 m 60.55 96.68 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.263 2.225 . . . . 0.0 114.329 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -99.15 85.25 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -171.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.72 117.23 5.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.32 -161.69 0.95 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.606 1.563 . . . . 0.0 108.008 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -158.58 143.02 15.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.677 1.991 . . . . 0.0 106.243 165.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.6 m -64.97 131.95 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 123.285 0.634 . . . . 0.0 110.898 -175.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.457 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -128.55 143.09 50.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.723 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? -133.72 -0.21 3.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.826 1.25 . . . . 0.0 113.88 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.95 12.49 0.4 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.473 2.309 . . . . 0.0 114.999 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -26.25 24.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -34.83 -27.67 0.01 OUTLIER Glycine 0 CA--C 1.542 1.722 0 C-N-CA 127.343 2.401 . . . . 0.0 116.121 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? 168.36 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 1 C-N-CA 131.706 4.003 . . . . 0.0 109.17 158.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.93 41.34 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.709 1.623 . . . . 0.0 113.494 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.49 70.33 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.01 0.905 . . . . 0.0 110.658 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.6 m -65.3 -16.13 63.25 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.507 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.78 -19.35 16.76 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 117.026 -1.464 . . . . 0.0 113.733 175.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -77.61 -34.39 53.4 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.874 1.67 . . . . 0.0 110.283 164.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.12 -57.96 5.8 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -31.09 67.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.972 172.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.72 61.72 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.94 17.57 7.28 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.682 1.193 . . . . 0.0 112.806 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.65 12.94 7.96 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.285 0.634 . . . . 0.0 112.529 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.78 173.62 7.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.659 1.583 . . . . 0.0 108.536 170.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.4 p90 -152.47 155.76 33.03 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 172.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -70.95 158.58 55.02 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.26 1.973 . . . . 0.0 113.089 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.91 8.01 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.258 1.023 . . . . 0.0 110.473 162.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -136.27 159.61 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 124.963 1.305 . . . . 0.0 109.805 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG13 ' A' ' 63' ' ' ILE . 63.1 mt -129.46 91.35 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 176.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 112.139 -175.21 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 CA--C 1.537 0.656 0 N-CA-C 112.283 0.071 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.43 105.87 2.3 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 122.722 0.409 . . . . 0.0 110.213 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -81.2 136.98 35.9 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -142.51 122.63 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.37 1.468 . . . . 0.0 109.101 -168.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.38 120.09 19.47 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 131.011 3.724 . . . . 0.0 108.685 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.18 166.34 24.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.822 0.82 . . . . 0.0 112.383 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 132.0 40.98 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.232 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -66.18 -47.64 73.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.099 0.874 . . . . 0.0 109.5 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.87 -34.54 78.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.073 0.851 . . . . 0.0 111.675 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.69 -77.46 0.03 OUTLIER 'General case' 0 C--N 1.345 0.381 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.95 -26.09 23.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -167.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -48.4 -64.21 0.86 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.796 1.638 . . . . 0.0 108.694 170.402 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.79 -22.16 45.82 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.481 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.6 mmt -82.74 -70.96 0.51 Allowed 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -175.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.586 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -61.26 -7.46 2.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -62.26 -16.85 56.3 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.14 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 155.13 48.93 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.256 0.935 . . . . 0.0 112.976 -173.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.6 74.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.512 -167.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.8 -48.03 80.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 124.336 1.054 . . . . 0.0 108.178 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 2.9 t80 -50.81 -45.55 59.4 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.857 1.208 . . . . 0.0 111.325 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -36.14 73.76 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.797 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -86.28 -12.69 48.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.849 1.259 . . . . 0.0 112.633 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -131.54 122.96 27.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -165.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -46.67 142.18 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.307 1.043 . . . . 0.0 112.651 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.4 mt -116.94 161.36 19.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.415 1.486 . . . . 0.0 107.919 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.9 m -115.66 97.47 6.15 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.975 0.807 . . . . 0.0 109.197 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.581 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -76.06 105.09 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.14 84.62 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 40' ' ' ILE . 4.4 m -76.72 97.41 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 126.243 1.817 . . . . 0.0 106.938 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 57.41 25.98 11.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.336 0.654 . . . . 0.0 112.419 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.0 -3.76 35.7 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.857 1.218 . . . . 0.0 114.559 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -103.37 126.11 50.35 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 119.234 1.517 . . . . 0.0 108.501 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.23 109.05 21.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.076 0.55 . . . . 0.0 110.87 -159.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.94 128.06 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -171.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.6 mmtm -86.16 129.6 34.79 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.191 0.996 . . . . 0.0 111.016 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.535 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 19.1 m -153.06 160.94 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.582 1.953 . . . . 0.0 110.765 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.19 134.33 47.96 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 119.022 0.828 . . . . 0.0 109.129 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -58.62 132.86 55.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.388 0.675 . . . . 0.0 111.139 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -128.98 -24.13 2.96 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.101 0.876 . . . . 0.0 111.387 -170.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -161.16 103.15 1.27 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.799 HG12 HG23 ' A' ' 89' ' ' ILE . 18.4 m -91.83 133.8 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 163.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -107.5 102.85 12.08 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -68.39 162.3 25.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.095 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 158.68 85.76 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 122.664 0.385 . . . . 0.0 110.978 170.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.68 -24.57 4.14 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.569 2.846 . . . . 0.0 112.997 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -148.64 12.07 0.89 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -126.43 157.02 71.91 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 108.78 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -78.73 61.96 8.19 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.719 2.946 . . . . 0.0 109.123 166.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -133.78 -173.04 3.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.761 1.224 . . . . 0.0 109.255 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 89' ' ' ILE . 22.2 mt -131.0 127.5 38.47 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 125.727 1.611 . . . . 0.0 108.638 -174.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.03 -41.12 62.3 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.79 1.236 . . . . 0.0 110.006 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 177.41 159.7 0.42 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 125.851 1.66 . . . . 0.0 108.465 -165.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.799 HG23 HG12 ' A' ' 77' ' ' VAL . 89.4 mt -145.46 145.02 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.44 148.75 44.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 167.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.42 158.44 27.19 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.31 142.74 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 117.989 0.359 . . . . 0.0 110.087 175.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -52.63 93.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.248 0 C-N-CA 127.027 2.131 . . . . 0.0 111.153 -167.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 116.519 -1.705 . . . . 0.0 111.625 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 62' ' ' THR . 24.1 m 59.63 97.48 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.501 2.721 . . . . 0.0 112.912 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -101.6 89.12 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -165.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.25 116.38 5.95 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -172.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.86 -161.18 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.458 1.503 . . . . 0.0 108.003 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.78 144.19 22.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 164.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.02 144.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.677 . . . . 0.0 110.401 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -139.81 156.1 46.92 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.289 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -137.84 -4.81 1.75 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 113.191 167.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.3 pm0 -66.96 15.74 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.564 2.745 . . . . 0.0 114.996 175.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -44.28 22.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.371 -173.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -19.99 -64.37 0.01 OUTLIER Glycine 0 C--N 1.343 0.946 0 C-N-CA 128.163 2.792 . . . . 0.0 112.844 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -159.74 -17.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.401 158.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.19 -43.97 97.89 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 124.818 1.199 . . . . 0.0 112.492 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -67.13 -44.45 79.81 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 173.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -62.73 -27.36 69.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.993 0.517 . . . . 0.0 111.927 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 -39.18 15.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 116.294 -1.812 . . . . 0.0 111.387 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -64.28 -33.94 76.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.635 2.016 . . . . 0.0 110.713 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.41 -65.98 0.61 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.605 1.162 . . . . 0.0 108.121 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -61.11 -26.91 68.0 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.877 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.86 -21.21 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.46 18.71 12.81 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.936 1.295 . . . . 0.0 112.031 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 65.0 11.55 7.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.549 0.739 . . . . 0.0 112.918 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mtmm -84.29 172.75 11.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 166.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 89' ' ' ILE . 1.3 p90 -152.5 154.82 32.3 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -70.14 154.89 65.83 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.054 1.836 . . . . 0.0 113.342 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.75 -179.04 5.96 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.922 0.889 . . . . 0.0 110.743 162.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tp -138.25 157.16 31.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 124.746 1.218 . . . . 0.0 110.159 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 63' ' ' ILE . 45.2 mt -127.77 100.08 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -162.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 CA--C 1.542 0.912 0 CA-C-O 120.642 0.184 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.49 102.05 2.22 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.315 1.046 . . . . 0.0 110.06 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 139.41 47.07 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -136.52 140.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -177.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 6.2 tt0 -93.55 108.39 20.1 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 129.648 3.179 . . . . 0.0 107.293 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -130.48 164.73 24.18 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.586 0.707 . . . . 0.0 111.878 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.62 136.23 40.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.598 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.59 -50.76 23.21 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.485 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -22.91 61.36 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.718 0.69 . . . . 0.0 111.577 -170.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.78 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.09 1.756 . . . . 0.0 107.82 159.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -56.79 -26.57 24.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 tpt -50.13 -62.5 1.54 Allowed 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.132 1.773 . . . . 0.0 108.885 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -57.12 -21.24 30.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.353 0.979 . . . . 0.0 113.592 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -82.99 -68.72 0.68 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 118.468 -0.777 . . . . 0.0 108.907 -174.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.518 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -61.76 -6.96 2.98 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.517 1.053 . . . . 0.0 113.759 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.85 -3.55 22.95 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 125.477 1.511 . . . . 0.0 112.54 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.53 34.05 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.379 1.445 . . . . 0.0 110.166 163.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.23 60.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -57.03 -21.87 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.652 1.581 . . . . 0.0 111.636 171.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 54.8 t80 -69.53 -51.5 35.05 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 121.21 -0.931 . . . . 0.0 112.248 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.19 -30.15 31.06 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.685 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -83.49 -21.88 32.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.602 1.161 . . . . 0.0 111.754 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.44 127.66 33.82 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -174.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.9 p -52.35 145.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.426 1.491 . . . . 0.0 112.243 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 9.2 mt -113.26 164.11 13.96 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.955 1.702 . . . . 0.0 107.919 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.452 ' HB ' HG23 ' A' ' 3' ' ' THR . 3.8 m -118.34 98.22 6.17 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.179 0.445 . . . . 0.0 110.822 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 30' ' ' ILE . 3.7 mm -74.17 105.98 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.765 HG22 ' HG2' ' A' ' 69' ' ' GLU . 39.4 t -84.17 82.05 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG22 HD13 ' A' ' 70' ' ' ILE . 13.8 m -73.06 98.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 125.149 1.38 . . . . 0.0 108.359 177.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.01 26.37 9.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.142 0.977 . . . . 0.0 112.52 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.31 -5.35 30.04 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.987 1.28 . . . . 0.0 114.538 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.07 117.06 33.74 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 119.366 1.583 . . . . 0.0 108.386 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 64' ' ' VAL . 28.8 mt-10 -82.5 117.86 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.839 1.256 . . . . 0.0 113.025 -174.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -118.35 128.85 75.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.7 mmtm -86.65 124.4 32.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 123.223 0.609 . . . . 0.0 110.604 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 28.2 m -153.76 162.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 C-N-CA 125.008 1.323 . . . . 0.0 112.454 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 139.54 23.24 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.568 0.747 . . . . 0.0 109.098 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.61 155.61 7.25 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -166.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -131.94 -43.81 0.97 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.761 0.824 . . . . 0.0 111.776 167.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.12 88.94 1.83 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 -173.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 89' ' ' ILE . 20.8 m -82.9 135.39 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 158.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.23 114.51 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 -177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -78.31 159.8 28.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.103 0.561 . . . . 0.0 109.58 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.17 160.5 64.01 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 123.339 0.656 . . . . 0.0 110.653 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.01 -18.49 11.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.836 2.357 . . . . 0.0 113.321 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -144.92 -39.68 0.26 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 119.098 0.863 . . . . 0.0 112.22 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -75.48 156.42 85.2 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.236 1.014 . . . . 0.0 109.936 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -80.11 66.15 8.83 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.717 2.944 . . . . 0.0 109.872 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -137.27 -169.29 2.47 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.052 1.341 . . . . 0.0 109.97 -174.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 9.0 mt -129.76 142.51 50.68 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.528 1.931 . . . . 0.0 108.206 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.53 -34.0 12.84 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.37 1.068 . . . . 0.0 110.841 172.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -175.2 157.03 2.18 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.971 1.309 . . . . 0.0 109.45 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 92.1 mt -144.43 148.79 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -124.47 160.31 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.714 164.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.44 145.91 52.01 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -94.27 147.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 174.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -57.26 96.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.828 2.051 . . . . 0.0 110.311 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.341 168.472 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 CA--C 1.532 0.27 0 CA-C-O 119.746 -0.168 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m 57.82 103.54 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.737 2.415 . . . . 0.0 114.209 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.454 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.22 85.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 123.91 0.884 . . . . 0.0 109.126 -170.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.503 HD22 ' HB ' ' A' ' 64' ' ' VAL . 3.1 m120 -59.64 120.23 9.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.738 0.815 . . . . 0.0 109.522 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.15 -161.66 1.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.058 1.343 . . . . 0.0 108.597 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -155.23 143.72 20.42 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.816 2.046 . . . . 0.0 105.699 165.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -64.59 142.42 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.875 -0.516 . . . . 0.0 110.75 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.46 155.39 50.07 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.927 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -134.91 -1.97 2.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.351 1.46 . . . . 0.0 112.904 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.72 14.13 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.478 2.311 . . . . 0.0 114.49 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -39.47 19.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -166.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.8 3.84 0.01 OUTLIER Glycine 0 CA--C 1.54 1.606 0 C-N-CA 128.723 3.059 . . . . 0.0 119.696 -166.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 139.71 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.559 1 C-N-CA 136.445 5.898 . . . . 0.0 108.405 172.27 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.98 -53.09 10.87 Favored Glycine 0 C--N 1.344 0.991 0 C-N-CA 125.831 1.682 . . . . 0.0 112.392 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.69 -52.33 52.33 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.43 1.092 . . . . 0.0 111.066 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -59.3 -21.89 60.38 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.122 0.569 . . . . 0.0 112.257 -166.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -34.07 13.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.519 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.95 -35.28 79.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 122.205 2.275 . . . . 0.0 110.431 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -56.59 16.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.101 0.961 . . . . 0.0 108.588 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -56.78 -28.07 60.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 113.033 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 -12.13 59.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.56 -86.97 0.4 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 165.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.83 9.46 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.391 1.877 . . . . 0.0 111.715 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -91.68 176.07 6.67 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.867 1.667 . . . . 0.0 108.666 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.1 p90 -159.64 153.34 19.2 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 174.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.55 158.83 36.01 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.228 1.285 . . . . 0.0 112.703 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.61 177.98 7.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.387 1.075 . . . . 0.0 110.071 165.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 37' ' ' PRO . 11.1 tp -132.87 148.45 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.163 1.385 . . . . 0.0 109.948 171.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.929 HD11 HG13 ' A' ' 63' ' ' ILE . 38.6 mt -116.74 80.21 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 175.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 90' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.888 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.03 -172.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB2' HD11 ' A' ' 29' ' ' ILE . 87.7 Cg_exo . . . . . 0 CA--C 1.537 0.634 0 N-CA-C 117.82 2.2 . . . . 0.0 117.82 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.52 104.83 2.4 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.856 1.662 . . . . 0.0 108.959 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.48 139.13 45.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.77 141.14 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 125.576 1.55 . . . . 0.0 107.449 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -92.2 115.59 28.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.241 2.616 . . . . 0.0 108.862 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.44 167.46 20.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.411 0.624 . . . . 0.0 112.296 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 130.73 38.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.378 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -64.46 -51.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.946 0.779 . . . . 0.0 110.476 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.21 -34.96 75.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.149 0.431 . . . . 0.0 111.582 -172.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -62.42 -75.28 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.5 p -55.86 -26.24 20.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 tpp -51.43 -63.02 1.27 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.11 1.364 . . . . 0.0 109.557 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.51 -16.75 40.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.3 -67.51 0.78 Allowed 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.61 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.0 -8.51 3.27 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.633 1.106 . . . . 0.0 113.661 176.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.34 -7.99 22.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-O 117.18 -1.391 . . . . 0.0 111.077 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 158.69 38.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 110.837 170.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.56 61.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.32 -19.55 35.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.525 1.93 . . . . 0.0 111.57 173.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 57.1 t80 -70.89 -51.73 24.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 120.989 -1.069 . . . . 0.0 111.882 176.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -80.24 -29.34 38.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.319 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -78.18 -37.43 45.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 110.814 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.6 126.88 47.42 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -168.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.559 1.544 . . . . 0.0 113.447 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.2 mt -114.91 155.53 26.7 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.45 1.5 . . . . 0.0 108.527 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -112.69 97.45 6.58 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.141 0.882 . . . . 0.0 109.997 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.929 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -74.18 111.5 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 120.939 -1.101 . . . . 0.0 108.918 177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' HD22 ' A' ' 5' ' ' ASN . 41.3 t -93.26 84.84 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 70' ' ' ILE . 17.2 m -76.09 97.64 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.627 1.571 . . . . 0.0 107.492 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.99 29.15 15.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.069 0.548 . . . . 0.0 111.968 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.96 -4.13 45.39 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.468 -1.185 . . . . 0.0 114.271 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 125.23 48.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 119.321 1.56 . . . . 0.0 109.26 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.6 109.28 21.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.193 0.997 . . . . 0.0 110.96 -161.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.533 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.95 126.85 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -85.97 124.52 32.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.053 0.541 . . . . 0.0 109.901 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 70' ' ' ILE . 32.9 m -150.33 159.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 O-C-N 124.323 1.014 . . . . 0.0 113.201 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -131.47 132.31 44.17 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.668 0.787 . . . . 0.0 109.616 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -67.49 133.14 48.95 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 124.193 0.933 . . . . 0.0 110.835 -176.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -132.02 -18.61 2.63 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.132 0.973 . . . . 0.0 112.424 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.62 94.39 1.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 HG23 ' A' ' 89' ' ' ILE . 34.6 m -88.64 135.71 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 161.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.44 172.89 8.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.052 1.741 . . . . 0.0 107.548 170.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 164.97 31.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.073 0.949 . . . . 0.0 109.773 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.7 164.28 32.44 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.108 159.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -87.78 -16.07 3.07 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.628 2.885 . . . . 0.0 113.657 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -134.61 -6.77 2.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.971 1.309 . . . . 0.0 112.648 -170.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -144.99 166.75 16.79 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 128.431 2.692 . . . . 0.0 106.03 166.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.26 10.72 2.61 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 CA-C-N 120.923 1.365 . . . . 0.0 112.825 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -53.53 99.57 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 C-N-CA 127.544 2.337 . . . . 0.0 112.085 -168.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.752 HD13 HD11 ' A' ' 89' ' ' ILE . 14.7 mt -62.73 108.96 1.27 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 127.071 2.148 . . . . 0.0 108.281 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -75.66 -24.99 56.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.741 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -174.66 157.47 2.55 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.169 0.988 . . . . 0.0 110.888 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.752 HD11 HD13 ' A' ' 86' ' ' LEU . 81.4 mt -146.46 150.29 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.35 1.46 . . . . 0.0 108.107 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 m-20 -131.04 126.56 36.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.897 1.679 . . . . 0.0 107.539 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.55 132.06 53.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.389 1.076 . . . . 0.0 108.82 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.58 157.21 3.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.989 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -67.96 90.14 0.3 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.951 0.901 . . . . 0.0 109.812 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.63 -0.7 . . . . 0.0 112.187 173.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 N--CA 1.465 0.285 0 CA-C-O 119.666 -0.207 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 63.26 98.5 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.235 2.214 . . . . 0.0 114.154 168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.56 84.16 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -167.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.11 109.27 0.72 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.54 -161.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 107.41 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.54 138.27 11.96 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.0 m -62.45 132.62 28.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.614 -0.679 . . . . 0.0 110.607 -177.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.401 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -131.72 150.1 52.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.043 179.366 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.7 mmpt? -137.09 -3.54 1.98 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.372 1.869 . . . . 0.0 113.186 173.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.45 14.07 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.723 2.409 . . . . 0.0 115.039 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -53.55 8.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.898 1.279 . . . . 0.0 114.099 -164.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -5.21 -71.41 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 C-N-CA 130.146 3.736 . . . . 0.0 114.38 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -163.87 -11.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.019 0.928 . . . . 0.0 110.517 158.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -29.99 75.71 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 125.025 1.297 . . . . 0.0 113.061 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.24 -45.83 53.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.68 -0.894 . . . . 0.0 110.746 167.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -60.28 -22.28 62.93 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.52 -40.08 14.6 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 127.523 2.329 . . . . 0.0 112.09 173.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -34.79 76.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 122.015 2.189 . . . . 0.0 111.047 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -54.31 10.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.27 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.25 -28.56 66.82 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.804 0.729 . . . . 0.0 112.302 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.95 -15.4 61.12 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.01 17.22 10.88 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.94 1.296 . . . . 0.0 112.326 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 64.43 13.35 8.05 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.7 mtmm -91.95 175.83 6.73 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.806 1.642 . . . . 0.0 107.463 171.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -160.49 152.81 17.18 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -71.95 155.58 57.37 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.814 1.676 . . . . 0.0 112.874 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.16 178.48 7.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.676 1.191 . . . . 0.0 110.442 163.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -136.91 159.48 36.98 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 C-N-CA 124.538 1.135 . . . . 0.0 109.822 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.71 94.26 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -165.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.836 0 N-CA-C 111.553 -0.21 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -160.2 105.65 1.52 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.491 1.116 . . . . 0.0 109.753 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -78.39 137.24 37.91 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.745 -0.597 . . . . 0.0 109.408 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -142.86 123.94 11.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.753 1.621 . . . . 0.0 108.045 -170.137 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 11.6 tt0 -79.89 113.0 17.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 129.563 3.145 . . . . 0.0 108.76 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.05 166.67 17.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.463 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.33 138.2 40.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.855 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.44 -52.09 13.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.915 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -23.08 62.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.736 0.698 . . . . 0.0 111.274 -171.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -56.91 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.194 1.798 . . . . 0.0 107.657 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -57.6 -26.11 26.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 119.937 1.244 . . . . 0.0 114.011 -170.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -58.58 6.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.31 1.444 . . . . 0.0 108.735 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.21 -23.01 63.69 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmt -81.62 -67.25 0.8 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.04 -17.93 3.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.179 2.192 . . . . 0.0 112.803 174.084 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.95 -3.85 14.43 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 125.675 1.59 . . . . 0.0 112.574 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.7 38.69 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 119.983 1.265 . . . . 0.0 109.865 164.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 -21.97 59.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.239 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.81 -19.06 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 111.779 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 64.2 t80 -69.98 -54.98 10.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.053 -1.029 . . . . 0.0 111.791 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -77.24 -32.9 56.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.687 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -73.24 -40.17 64.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.619 1.168 . . . . 0.0 110.526 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.49 119.25 28.6 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.69 145.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 126.281 1.832 . . . . 0.0 112.858 -167.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 44.8 mt -107.53 154.67 21.05 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.844 1.658 . . . . 0.0 108.19 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.8 m -111.84 88.07 2.71 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.2 mp -70.14 110.59 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 O-C-N 120.798 -1.189 . . . . 0.0 110.359 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.03 86.49 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 125.55 1.54 . . . . 0.0 107.438 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 40' ' ' ILE . 5.0 m -75.75 95.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.489 1.915 . . . . 0.0 107.76 -177.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 57.25 26.21 12.01 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.844 0.857 . . . . 0.0 112.423 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.01 -6.69 30.9 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.982 1.277 . . . . 0.0 114.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -99.29 124.71 44.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 119.122 1.461 . . . . 0.0 108.569 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -98.69 110.29 22.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.033 0.533 . . . . 0.0 111.005 -161.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.446 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.11 127.26 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.408 0.683 . . . . 0.0 109.185 -169.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -85.61 123.34 30.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.194 0.998 . . . . 0.0 110.672 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' CG2' HD13 ' A' ' 63' ' ' ILE . 26.9 m -152.24 159.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 125.036 1.334 . . . . 0.0 113.299 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -132.29 136.75 47.13 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.383 1.073 . . . . 0.0 110.74 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.02 57.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.831 0.707 . . . . 0.0 112.415 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.19 -32.22 3.0 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.961 0.788 . . . . 0.0 112.565 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 96.24 2.49 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 126.389 1.876 . . . . 0.0 106.561 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 89' ' ' ILE . 30.4 m -82.93 145.66 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 158.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -124.31 115.61 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.488 1.915 . . . . 0.0 105.939 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -74.77 165.07 25.83 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.021 0.529 . . . . 0.0 110.538 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 160.27 69.66 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.339 0.656 . . . . 0.0 110.761 169.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -81.5 -7.04 12.74 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.19 2.593 . . . . 0.0 113.67 -172.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -146.73 -57.79 0.28 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.606 1.093 . . . . 0.0 111.825 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 16.5 ptmt -77.0 158.21 80.46 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.051 1.74 . . . . 0.0 109.524 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.5 18.54 0.69 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.783 2.989 . . . . 0.0 114.552 -170.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.411 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 70.3 mmtt -77.56 -164.07 0.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.057 1.743 . . . . 0.0 111.178 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -128.79 139.15 52.32 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.984 2.114 . . . . 0.0 108.06 -178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -36.98 16.6 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.276 1.03 . . . . 0.0 110.632 170.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -173.15 156.74 3.28 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.452 1.101 . . . . 0.0 109.319 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.693 HD11 HD13 ' A' ' 86' ' ' LEU . 83.3 mt -145.78 149.03 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -119.94 161.33 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.602 164.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.58 157.27 43.16 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 165.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.49 150.96 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -58.45 91.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.792 2.037 . . . . 0.0 110.753 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.043 0.937 . . . . 0.0 111.438 169.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.554 1.125 0 CA-C-O 123.008 1.385 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 10.1 m -81.3 129.39 34.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 128.059 2.543 . . . . 0.0 108.578 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.85 77.91 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -170.402 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -56.88 109.61 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.693 1.197 . . . . 0.0 108.648 -175.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.34 -162.34 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.12 1.368 . . . . 0.0 107.398 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -151.56 147.09 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 104.389 -2.448 . . . . 0.0 104.389 164.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.86 144.22 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.433 0.635 . . . . 0.0 110.467 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -136.28 153.97 51.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.933 174.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.6 mmpt? -135.97 1.83 2.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 112.256 166.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 10.36 0.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.813 2.445 . . . . 0.0 114.798 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.59 -56.53 5.05 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.72 1.608 . . . . 0.0 113.939 -159.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -16.2 -66.1 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.285 3.326 . . . . 0.0 114.351 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -11.06 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.816 158.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.34 69.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.558 1.075 . . . . 0.0 112.966 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -79.51 -56.6 4.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.857 0.863 . . . . 0.0 111.238 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.5 m -63.84 -17.31 63.01 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.322 -0.861 . . . . 0.0 112.433 -170.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -76.53 -52.73 9.2 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.253 167.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -65.94 -41.06 91.8 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.06 1.755 . . . . 0.0 109.671 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -59.82 -61.6 2.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.854 1.261 . . . . 0.0 111.335 176.066 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -24.16 67.65 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.217 0.917 . . . . 0.0 112.091 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 -16.16 61.45 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.6 18.67 8.06 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 125.546 1.538 . . . . 0.0 112.478 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.01 9.34 6.1 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -85.61 176.49 8.16 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 108.392 167.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -158.4 152.9 20.46 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -71.91 156.43 56.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 113.047 -175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.75 -178.73 5.55 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.715 1.206 . . . . 0.0 110.581 162.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.7 tp -136.94 157.36 35.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 C-N-CA 124.574 1.15 . . . . 0.0 110.114 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.808 HD11 HG13 ' A' ' 63' ' ' ILE . 56.8 mt -125.2 86.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 5.2 p90 . . . . . 0 N--CA 1.453 -0.306 0 C-N-CA 122.975 0.51 . . . . 0.0 112.323 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 9.1 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 CA-C-O 120.543 0.143 . . . . 0.0 112.19 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tp -148.81 101.77 3.22 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.005 0.522 . . . . 0.0 110.016 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 135.33 46.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.78 138.72 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 -177.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -85.56 115.96 23.58 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.071 2.149 . . . . 0.0 109.389 169.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -130.91 166.44 20.91 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.333 0.653 . . . . 0.0 111.201 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 131.44 40.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.506 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -66.71 -48.8 68.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.713 0.633 . . . . 0.0 109.616 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.38 -31.1 70.23 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.52 0.6 . . . . 0.0 111.181 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' ILE . 22.6 ttmt -58.85 -76.76 0.04 OUTLIER 'General case' 0 C--N 1.348 0.527 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 165.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 1.9 p -56.65 -26.72 24.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -166.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -60.24 3.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.799 1.639 . . . . 0.0 108.794 171.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.09 -22.87 63.3 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -83.01 -66.16 0.92 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -173.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.67 -18.08 4.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.11 2.164 . . . . 0.0 112.687 173.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.86 -2.85 13.44 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.468 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.65 158.11 37.2 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.799 1.636 . . . . 0.0 110.296 163.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.67 62.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.381 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.04 -18.16 32.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.221 1.408 . . . . 0.0 112.029 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 73.1 t80 -74.23 -53.37 9.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 120.98 -1.075 . . . . 0.0 112.05 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -78.64 -27.09 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.044 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -77.27 -48.9 16.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.917 1.287 . . . . 0.0 110.373 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.22 126.86 54.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -165.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.29 143.18 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.135 1.374 . . . . 0.0 112.436 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 24.9 mt -105.72 147.98 27.95 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 125.459 1.504 . . . . 0.0 108.088 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 16.5 m -106.98 100.56 10.05 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.808 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.35 108.15 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.731 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 5' ' ' ASN . 45.3 t -93.27 83.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 70' ' ' ILE . 16.0 m -72.77 94.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.558 1.543 . . . . 0.0 108.185 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 56.16 26.09 9.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.11 0.964 . . . . 0.0 112.443 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.31 25.76 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.853 1.216 . . . . 0.0 114.531 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -97.2 123.29 40.93 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.286 1.543 . . . . 0.0 108.544 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -96.93 111.71 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.442 0.697 . . . . 0.0 111.17 -164.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.506 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.69 124.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -170.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -86.02 125.51 33.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 111.045 177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 70' ' ' ILE . 22.7 m -152.72 159.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 C-N-CA 124.656 1.182 . . . . 0.0 112.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -132.0 135.9 46.89 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.139 0.976 . . . . 0.0 109.642 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 136.04 54.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.939 0.775 . . . . 0.0 111.523 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -118.66 -40.53 2.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.317 1.047 . . . . 0.0 110.863 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -151.8 98.55 2.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 89' ' ' ILE . 35.2 m -76.88 145.55 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 161.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -119.03 111.28 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -78.99 164.04 24.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 110.243 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 160.78 77.78 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 123.001 0.52 . . . . 0.0 111.546 169.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -84.65 -11.1 8.21 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.441 2.76 . . . . 0.0 113.99 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -137.9 -56.25 0.67 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 120.258 1.39 . . . . 0.0 110.966 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -81.8 162.63 57.02 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.373 1.469 . . . . 0.0 109.966 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.38 19.48 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.645 2.897 . . . . 0.0 113.814 -172.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -75.13 -169.98 1.05 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.496 1.518 . . . . 0.0 111.061 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 11.0 mt -122.94 148.25 45.69 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.522 1.929 . . . . 0.0 108.07 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -101.81 -31.86 10.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.926 1.29 . . . . 0.0 110.995 170.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -175.73 158.99 2.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.157 1.383 . . . . 0.0 109.058 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -145.23 150.39 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -123.27 156.28 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.712 0.805 . . . . 0.0 108.845 167.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.53 150.57 52.14 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.521 1.529 . . . . 0.0 107.198 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 m -102.54 148.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -57.1 95.22 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.433 1.493 . . . . 0.0 110.262 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.799 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpt . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -61.95 -68.31 0.33 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.865 1.266 . . . . 0.0 110.02 -177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 HG23 ' HB ' ' A' ' 62' ' ' THR . 9.0 m 54.27 103.29 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 128.138 2.575 . . . . 0.0 114.586 176.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.73 86.02 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -169.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.99 119.43 8.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -124.29 -162.2 1.05 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.439 1.496 . . . . 0.0 108.277 -178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -156.33 140.6 16.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.488 2.315 . . . . 0.0 105.27 168.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.9 m -64.48 142.17 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.483 -0.761 . . . . 0.0 111.414 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -145.13 151.94 39.26 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -133.5 -3.31 3.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.285 1.834 . . . . 0.0 113.638 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.94 13.63 0.37 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.799 2.04 . . . . 0.0 114.797 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -32.73 9.52 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 -172.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.38 -5.37 0.07 OUTLIER Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.097 2.284 . . . . 0.0 118.112 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 8.8 mmtp 144.16 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 1 C-N-CA 133.986 4.914 . . . . 0.0 110.941 166.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.37 -39.96 74.82 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.257 0.932 . . . . 0.0 112.539 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -68.51 -47.76 66.12 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.203 1.001 . . . . 0.0 110.063 173.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -60.27 -24.6 65.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.831 -0.543 . . . . 0.0 111.551 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -23.68 17.96 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 116.35 -1.786 . . . . 0.0 113.899 178.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -83.99 -41.32 17.41 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 121.416 1.916 . . . . 0.0 109.743 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.17 -56.16 21.52 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.721 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.15 -27.61 67.23 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 118.894 0.77 . . . . 0.0 112.262 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.61 63.06 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.23 16.27 7.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.294 1.038 . . . . 0.0 113.14 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 63.34 14.68 8.07 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -83.52 176.5 9.0 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 162.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -164.4 129.88 2.08 Favored Pre-proline 0 N--CA 1.447 -0.614 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -159.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -70.57 156.9 60.3 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 121.675 1.584 . . . . 0.0 113.042 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.39 -178.79 6.15 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 125.182 1.393 . . . . 0.0 111.078 165.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 37' ' ' PRO . 8.6 tp -139.75 161.26 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 125.208 1.403 . . . . 0.0 110.274 172.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.793 HD11 HG13 ' A' ' 63' ' ' ILE . 52.5 mt -131.74 92.56 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 126.806 2.042 . . . . 0.0 105.586 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CD1' HG12 ' A' ' 92' ' ' VAL . 3.7 p90 -115.79 -177.37 3.14 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -170.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.69 43.21 36.68 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.54 -103.5 0.53 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 178.13 -28.96 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 127.308 2.243 . . . . 0.0 110.323 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.15 -71.42 0.6 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 170.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . . . -161.55 163.92 19.02 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 122.986 0.514 . . . . 0.0 112.348 169.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.603 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.3 Cg_exo -66.09 -168.88 0.14 Allowed 'Trans proline' 0 CA--C 1.535 0.538 1 C-N-CA 126.293 4.662 . . . . 0.0 116.282 173.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 tp -153.9 107.6 2.98 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.348 1.059 . . . . 0.0 110.557 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.24 138.46 41.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 122.428 0.291 . . . . 0.0 110.544 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.456 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.27 132.91 42.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 126.335 1.854 . . . . 0.0 107.76 -175.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.64 121.78 27.71 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 128.145 2.578 . . . . 0.0 108.568 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -137.44 170.39 16.16 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 121.741 0.782 . . . . 0.0 111.267 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 7.0 t70 -74.67 130.3 39.28 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.235 1.414 . . . . 0.0 109.724 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.9 -50.84 63.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 119.035 -0.507 . . . . 0.0 110.346 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -67.76 -28.61 67.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.516 0.598 . . . . 0.0 111.714 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 50' ' ' MET . 21.9 ttmm -59.43 -77.81 0.03 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.147 162.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.34 -27.72 17.49 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 119.68 1.127 . . . . 0.0 113.884 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 tpt -47.01 -65.1 0.62 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 126.191 1.796 . . . . 0.0 110.178 165.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -55.02 -23.1 17.92 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.851 1.205 . . . . 0.0 114.127 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.44 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.1 mmm -84.99 -65.27 1.03 Allowed 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -170.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.63 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.4 pp0? -61.52 -7.8 3.58 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 120.194 1.361 . . . . 0.0 114.113 173.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.23 -2.43 24.81 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 125.657 1.583 . . . . 0.0 112.503 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 157.9 31.98 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.944 1.247 . . . . 0.0 109.615 160.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.04 -25.26 59.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -52.9 -25.64 12.37 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.73 2.012 . . . . 0.0 111.578 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 34.7 t80 -74.65 -39.91 61.79 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 121.262 -0.899 . . . . 0.0 113.358 -177.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -91.34 -28.43 17.74 Favored 'General case' 0 N--CA 1.451 -0.407 0 O-C-N 123.578 0.549 . . . . 0.0 112.057 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.7 t -83.05 -23.39 33.21 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.791 1.236 . . . . 0.0 110.77 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.74 162.29 27.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -74.06 150.75 7.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.691 0.796 . . . . 0.0 112.365 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 56' ' ' PHE . 12.3 mt -117.36 158.21 24.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.56 2.344 . . . . 0.0 108.256 175.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.422 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.4 m -113.51 98.99 7.41 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.696 0.68 . . . . 0.0 109.24 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.793 HG13 HD11 ' A' ' 30' ' ' ILE . 3.2 mm -75.59 110.04 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 O-C-N 121.037 -1.039 . . . . 0.0 109.148 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.1 t -92.65 84.72 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG22 HD13 ' A' ' 70' ' ' ILE . 21.9 m -76.35 97.29 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 125.35 1.46 . . . . 0.0 107.648 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.5 t70 56.03 29.95 15.35 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.206 0.602 . . . . 0.0 111.836 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.41 -2.76 46.53 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.473 -1.182 . . . . 0.0 114.607 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.8 127.22 48.69 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 119.395 1.597 . . . . 0.0 109.167 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -102.84 109.62 21.26 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.419 0.688 . . . . 0.0 110.831 -159.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.79 125.85 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -168.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -87.51 124.79 33.83 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 123.377 0.671 . . . . 0.0 110.509 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 32.7 m -152.34 159.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 C-N-CA 125.621 1.568 . . . . 0.0 111.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 134.99 48.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 123.645 0.778 . . . . 0.0 109.024 179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -66.47 141.01 58.05 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 123.555 0.534 . . . . 0.0 111.835 -177.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -135.6 -26.28 1.24 Allowed 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.962 0.789 . . . . 0.0 111.89 -166.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.65 97.48 2.12 Favored 'General case' 0 C--N 1.341 0.232 0 C-N-CA 127.438 2.295 . . . . 0.0 105.234 171.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.739 HG12 HG23 ' A' ' 89' ' ' ILE . 20.6 m -91.26 139.95 16.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 160.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -115.97 117.92 31.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.204 1.802 . . . . 0.0 106.379 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -78.92 162.71 25.82 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.947 0.499 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.21 158.62 71.12 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 123.098 0.559 . . . . 0.0 110.001 166.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.75 -20.22 10.67 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.657 2.904 . . . . 0.0 113.199 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -145.16 -35.33 0.32 Allowed 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.774 0.716 . . . . 0.0 111.949 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.01 153.94 84.72 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.301 1.04 . . . . 0.0 109.834 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -80.33 58.26 6.91 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 124.17 3.247 . . . . 0.0 110.444 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -133.91 -168.1 2.06 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.925 1.29 . . . . 0.0 109.226 -173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 89' ' ' ILE . 15.1 mt -124.86 151.99 44.56 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.725 1.61 . . . . 0.0 109.315 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.93 -34.94 10.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.412 1.485 . . . . 0.0 110.853 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -179.65 158.19 0.79 Allowed 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.329 1.452 . . . . 0.0 109.553 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.739 HG23 HG12 ' A' ' 77' ' ' VAL . 95.4 mt -141.9 146.03 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -121.21 165.51 15.32 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.992 165.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.72 157.73 45.94 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 170.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 31' ' ' TYR . 22.5 m -118.15 145.85 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 118.016 0.371 . . . . 0.0 110.562 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -53.94 92.4 0.01 OUTLIER 'General case' 0 C--N 1.341 0.238 0 C-N-CA 127.208 2.203 . . . . 0.0 111.77 -169.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.461 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.212 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.582 170.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C2'-C3'-O3' 118.592 2.711 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 1 P-O3'-C3' 125.625 4.938 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.941 0 O4'-C1'-N19 110.975 2.775 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 1 O4'-C1'-N19 112.67 4.47 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 1 O4'-C1'-N19 114.491 6.291 . 0.56 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.262 0 C5'-C4'-O4' 113.412 3.008 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 1 O4'-C1'-N19 113.032 4.832 . 0.109 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.42 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.464 1 O4'-C1'-N19 113.098 4.898 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 C4'-C3'-C2' 97.781 -4.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 N19-C1'-C2' 106.608 -4.245 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 2 O4'-C1'-N19 113.032 4.832 . 0.096 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 O4'-C1'-N19 111.357 3.157 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 O4'-C1'-N19 111.194 2.994 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 1 O4'-C1'-N19 114.518 6.318 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 C5'-C4'-C3' 110.246 -3.503 OUTLIER-DELTA 0.037 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 O4'-C1'-N19 112.482 4.282 . 0.018 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 1 O4'-C1'-N19 112.97 4.77 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 O4'-C1'-N19 112.565 4.365 . 0.438 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.691 0 C3'-C2'-C1' 104.725 3.583 . 0.01 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.623 1 P-O3'-C3' 126.93 6.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.964 0 O4'-C1'-N19 112.156 3.956 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 1 O4'-C1'-N19 113.221 5.021 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 O4'-C1'-N19 112.142 3.942 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 113.772 5.572 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 110.155 -3.563 OUTLIER-DELTA 0.093 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.425 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.794 1 O4'-C1'-N19 113.479 5.279 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-O4' 113.632 3.166 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 1 O4'-C1'-N19 112.279 4.079 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 0 O4'-C1'-N19 111.562 3.362 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.786 3.586 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 1 O4'-C1'-N19 112.524 4.324 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 O4'-C1'-N19 112.287 4.087 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 112.252 4.052 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.94 1 O4'-C1'-N19 113.086 4.886 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 110.844 2.644 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.417 3.217 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.985 0 O4'-C1'-N19 111.037 2.837 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -58.15 -66.35 0.5 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.104 1.361 . . . . 0.0 110.408 -173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 m 55.22 100.01 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.122 2.569 . . . . 0.0 115.072 170.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -103.63 85.27 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -166.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.58 92.1 0.09 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.136 0.974 . . . . 0.0 111.073 -168.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.56 -161.22 0.84 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -150.25 147.36 27.58 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 165.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.86 141.93 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 O-C-N 121.67 -0.644 . . . . 0.0 110.485 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -134.01 157.42 46.14 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.621 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -136.89 -0.58 2.29 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.939 1.696 . . . . 0.0 113.172 167.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -66.96 10.42 0.14 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.34 2.256 . . . . 0.0 115.739 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -30.05 22.96 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.56 -12.97 0.42 Allowed Glycine 0 CA--C 1.544 1.894 0 C-N-CA 126.457 1.979 . . . . 0.0 116.679 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.683 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 5.8 mmtp 157.01 -28.97 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 1 C-N-CA 132.341 4.256 . . . . 0.0 111.477 158.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.94 -31.93 58.93 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.257 0.932 . . . . 0.0 112.764 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.05 9.43 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.459 1.104 . . . . 0.0 110.061 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 m -62.31 -19.83 63.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.711 -0.618 . . . . 0.0 112.512 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.61 -34.44 13.31 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 116.925 -1.512 . . . . 0.0 113.021 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.63 -40.82 63.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.333 1.879 . . . . 0.0 110.224 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.25 -53.97 40.75 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.031 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -60.12 -27.65 67.21 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.016 0.825 . . . . 0.0 111.906 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.81 -11.53 60.41 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.27 17.96 7.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.24 1.416 . . . . 0.0 112.75 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 65.52 10.33 6.55 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.587 0.755 . . . . 0.0 112.913 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -86.64 176.68 7.65 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.301 1.44 . . . . 0.0 108.502 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.2 p90 -159.82 152.97 18.34 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.55 158.28 47.81 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 121.698 1.599 . . . . 0.0 113.358 -172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.33 179.28 6.55 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 124.364 1.066 . . . . 0.0 111.022 162.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -136.69 158.0 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 C-N-CA 124.606 1.162 . . . . 0.0 110.025 169.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 53.1 mt -128.86 104.95 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CE1' HG12 ' A' ' 92' ' ' VAL . 5.0 p90 -119.36 -168.8 1.64 Allowed 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.793 0.837 . . . . 0.0 111.464 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.33 -1.76 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-O 118.36 -1.244 . . . . 0.0 115.551 -175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.06 28.15 24.57 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.908 1.242 . . . . 0.0 115.055 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -126.08 -35.99 2.39 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 127.933 2.493 . . . . 0.0 114.047 -175.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -128.48 -4.52 5.38 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.374 1.069 . . . . 0.0 113.77 -168.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.87 130.31 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 127.741 2.416 . . . . 0.0 112.075 -159.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.704 ' HB2' HD11 ' A' ' 29' ' ' ILE . 11.4 Cg_exo -54.02 179.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 1 C-N-CA 126.74 4.96 . . . . 0.0 120.116 -169.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -151.0 97.56 2.47 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.867 -1.515 . . . . 0.0 108.45 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.59 135.61 48.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.25 132.5 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -80.7 124.8 29.33 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.936 1.694 . . . . 0.0 108.788 169.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.53 165.19 28.13 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 121.298 0.571 . . . . 0.0 111.071 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -76.89 138.71 39.92 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.805 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -73.25 -50.49 22.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.385 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -26.12 66.08 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.01 0.823 . . . . 0.0 111.346 -171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -61.26 -80.06 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.752 1.621 . . . . 0.0 108.563 166.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG11 ' CE1' ' A' ' 26' ' ' PHE . 1.9 p -51.37 -27.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -60.93 2.59 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 108.686 171.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.11 -25.27 58.51 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.8 mmt -80.14 -67.29 0.78 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 118.947 0.794 . . . . 0.0 108.868 -175.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.88 -17.44 3.63 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 127.109 2.163 . . . . 0.0 112.791 174.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.26 -5.42 22.84 Favored 'General case' 0 N--CA 1.434 -1.252 0 C-N-CA 125.499 1.52 . . . . 0.0 112.685 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.79 157.46 37.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.404 1.456 . . . . 0.0 110.368 165.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.34 -20.82 62.12 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.438 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -22.89 41.11 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.192 1.397 . . . . 0.0 111.844 171.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 58.1 t80 -76.02 -45.14 36.04 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.343 -0.848 . . . . 0.0 112.894 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -86.74 -29.55 22.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.66 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.4 t -86.64 -18.55 31.07 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.846 0.859 . . . . 0.0 111.371 -177.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 145.33 51.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.44 152.12 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.766 0.826 . . . . 0.0 112.413 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HB3' HD11 ' A' ' 4' ' ' ILE . 35.7 mt -116.76 155.17 29.38 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.977 1.711 . . . . 0.0 107.638 178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 m -110.01 89.04 2.9 Favored 'General case' 0 C--O 1.224 -0.237 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.549 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mp -66.49 112.86 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 170.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.9 t -93.43 85.55 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 HG22 ' A' ' 63' ' ' ILE . 15.9 m -71.64 96.87 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.445 1.498 . . . . 0.0 108.765 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t70 55.64 25.52 8.22 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.455 1.102 . . . . 0.0 112.605 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.49 -4.55 29.59 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.944 1.259 . . . . 0.0 114.491 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -100.63 126.32 47.11 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 119.318 1.559 . . . . 0.0 108.405 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -102.8 108.49 19.74 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.725 0.41 . . . . 0.0 110.526 -159.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -114.18 125.46 71.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -168.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -87.56 119.27 27.68 Favored 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 123.783 0.833 . . . . 0.0 110.516 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.549 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.5 m -148.86 159.52 6.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -129.03 133.21 47.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.97 1.308 . . . . 0.0 109.54 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.7 142.9 57.25 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 123.617 0.573 . . . . 0.0 112.409 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -129.56 -38.44 1.53 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.958 0.903 . . . . 0.0 111.759 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.51 90.44 1.94 Allowed 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 126.943 2.097 . . . . 0.0 105.908 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 89' ' ' ILE . 33.7 m -81.06 139.77 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 158.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -116.6 112.44 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -74.78 163.37 27.75 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 122.928 0.491 . . . . 0.0 109.863 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 159.32 70.62 Favored Pre-proline 0 CA--C 1.539 0.526 0 C-N-CA 123.096 0.558 . . . . 0.0 110.55 168.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.53 -9.27 13.59 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.538 2.825 . . . . 0.0 113.662 -171.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -148.02 -56.21 0.22 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.546 1.066 . . . . 0.0 112.259 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -78.87 154.41 77.99 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 125.854 1.662 . . . . 0.0 110.201 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.76 76.84 3.91 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.738 2.959 . . . . 0.0 110.982 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -137.4 -168.55 2.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.573 1.549 . . . . 0.0 109.433 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 89' ' ' ILE . 11.7 mt -127.65 153.54 46.34 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 126.975 2.11 . . . . 0.0 108.399 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.54 -30.1 7.5 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.724 1.61 . . . . 0.0 110.448 175.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -175.79 157.7 2.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 125.575 1.55 . . . . 0.0 108.702 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 86' ' ' LEU . 82.6 mt -144.71 150.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.052 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -125.29 166.14 17.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.396 166.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -139.06 155.84 47.63 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 124.98 1.312 . . . . 0.0 107.939 170.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.43 HG12 ' CE1' ' A' ' 31' ' ' TYR . 4.8 m -112.1 149.76 14.59 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 174.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -57.81 93.54 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.691 1.596 . . . . 0.0 111.967 -175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 116.103 -1.903 . . . . 0.0 112.307 167.511 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 1 O4'-C1'-N19 112.621 4.421 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.492 -2.672 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 110.285 2.085 . 0.081 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.869 4.669 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 1 O4'-C1'-N19 114.341 6.141 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 0 C5'-C4'-O4' 112.481 2.344 . 0.48 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C5'-C4'-C3' 111.735 -2.51 . 0.862 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.449 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.594 1 O4'-C1'-N19 112.766 4.566 . 0.331 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 2 C4'-C3'-C2' 97.441 -5.259 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.602 0 N19-C1'-C2' 108.243 -3.223 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 2 P-O3'-C3' 125.336 4.697 . 0.473 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 O4'-C1'-N19 111.865 3.665 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.356 3.156 . 0.505 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 1 O4'-C1'-N19 114.082 5.882 . 0.591 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 C5'-C4'-C3' 111.029 -2.98 . 0.011 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 1 O4'-C1'-N19 112.857 4.657 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 1 O4'-C1'-N19 113.893 5.693 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.578 " C2'" ' H41' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 104.225 3.028 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 1 O4'-C1'-N19 112.654 4.454 . 0.137 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . 0.578 ' H41' " C2'" ' B' ' 284' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.404 -4.069 0 C4'-C3'-O3' 116.627 2.318 OUTLIER-EPSILON 0.375 2[ . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.248 2 P-O3'-C3' 125.679 4.983 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 112.112 3.912 . 0.191 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.507 3.307 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 2 O4'-C1'-N19 114.108 5.908 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 111.263 -2.825 . 0.155 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.683 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.831 1 O4'-C1'-N19 113.134 4.934 . 0.485 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-O4' 113.251 2.893 . 0.427 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 O4'-C1'-N19 112.049 3.849 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.66 3.46 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 0 O4'-C1'-N19 111.927 3.727 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 112.395 4.195 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 112.448 4.248 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C4'-C3'-C2' 99.435 -3.265 . 0.702 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 110.936 2.736 . 0.519 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 O4'-C1'-N19 110.704 2.504 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 1 O4'-C1'-N19 112.675 4.475 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 111.578 3.378 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 tpt . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 119.081 -0.485 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -59.23 -68.29 0.29 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.562 1.145 . . . . 0.0 109.953 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.8 m 56.7 104.22 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 128.016 2.526 . . . . 0.0 114.141 173.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.448 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -107.45 85.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.179 0 CA-C-O 121.952 0.882 . . . . 0.0 109.482 -168.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.491 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.9 m120 -59.52 117.9 5.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.28 1.032 . . . . 0.0 109.673 -172.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.38 -161.5 1.04 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.728 1.211 . . . . 0.0 108.473 -177.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -151.93 140.84 21.07 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 165.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 38' ' ' LEU . 27.3 m -53.92 153.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.797 1.239 . . . . 0.0 111.372 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 HH21 ' CB ' ' A' ' 16' ' ' ALA . 60.4 mtp180 -130.18 151.99 50.11 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.881 1.272 . . . . 0.0 112.35 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.56 12.96 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 128.492 2.717 . . . . 0.0 110.379 -175.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -111.27 13.0 21.7 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.565 1.946 . . . . 0.0 111.233 -170.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -25.96 67.48 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.023 1.729 . . . . 0.0 115.654 -162.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 -0.91 0.02 OUTLIER Glycine 0 CA--C 1.542 1.779 0 C-N-CA 128.067 2.746 . . . . 0.0 118.509 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 141.64 -31.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 1 C-N-CA 135.705 5.602 . . . . 0.0 109.974 163.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.22 -37.56 38.61 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.199 1.38 . . . . 0.0 113.026 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.43 ' CB ' HH21 ' A' ' 9' ' ' ARG . . . -61.63 -55.28 32.29 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.913 0.885 . . . . 0.0 110.893 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -56.47 -28.15 58.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.074 -0.488 . . . . 0.0 111.562 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 -32.18 12.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 116.231 -1.842 . . . . 0.0 113.641 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -65.93 -42.11 90.52 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 121.987 2.176 . . . . 0.0 109.619 172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -61.23 -60.41 3.79 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.709 1.204 . . . . 0.0 110.75 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -66.49 -19.82 65.88 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 119.066 0.848 . . . . 0.0 112.468 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.1 -16.94 62.6 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.8 -53.8 3.57 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.205 1.002 . . . . 0.0 110.192 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.0 p30 136.9 -9.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 1 C-N-CA 132.293 4.237 . . . . 0.0 112.625 -167.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -74.68 173.2 10.81 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 125.068 1.347 . . . . 0.0 107.59 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 1.3 p90 -156.0 153.28 25.39 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.55 155.44 50.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.024 1.816 . . . . 0.0 112.741 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.3 7.78 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.842 1.257 . . . . 0.0 110.655 163.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.6 tp -134.57 155.59 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 125.44 1.496 . . . . 0.0 110.713 174.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.756 HD11 HG13 ' A' ' 63' ' ' ILE . 53.8 mt -125.27 81.29 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 C-N-CA 125.816 1.647 . . . . 0.0 106.604 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.326 0.1 OUTLIER -93.23 -173.99 3.41 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.04 106.21 1.03 Allowed Glycine 0 CA--C 1.522 0.487 0 N-CA-C 108.254 -1.939 . . . . 0.0 108.254 -158.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.22 62.41 1.77 Allowed Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.862 1.22 . . . . 0.0 111.161 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -143.67 -41.18 0.29 Allowed 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 128.878 2.871 . . . . 0.0 110.15 -171.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -129.42 -1.51 4.99 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.57 1.548 . . . . 0.0 112.404 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.78 152.68 0.12 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 126.514 1.926 . . . . 0.0 110.599 -158.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HB2' HD11 ' A' ' 29' ' ' ILE . 6.1 Cg_exo -62.0 179.26 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.614 2.876 . . . . 0.0 116.879 -175.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.642 HD21 HG12 ' A' ' 8' ' ' VAL . 4.0 tt -155.22 108.86 2.84 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.961 171.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.01 146.77 53.53 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.954 -0.546 . . . . 0.0 109.746 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.593 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -139.45 146.22 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.983 1.313 . . . . 0.0 108.03 174.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -103.21 106.33 16.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 129.308 3.043 . . . . 0.0 107.157 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.45 167.75 15.83 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 122.102 0.953 . . . . 0.0 112.195 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 51.8 t0 -69.58 123.85 22.41 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 126.013 1.725 . . . . 0.0 108.125 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.57 -52.15 42.05 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.132 0.573 . . . . 0.0 110.801 176.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 118.281 0.491 . . . . 0.0 111.333 -172.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 20.2 ttmm -60.02 -75.08 0.06 Allowed 'General case' 0 C--N 1.344 0.353 0 CA-C-O 117.598 -1.192 . . . . 0.0 108.023 163.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.13 -27.63 23.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 119.886 1.221 . . . . 0.0 113.97 -170.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 tpp -50.19 -62.34 1.64 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.135 0.974 . . . . 0.0 108.779 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -57.8 -20.73 37.75 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.42 -67.41 0.79 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.31 -18.35 2.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 127.543 2.337 . . . . 0.0 112.738 174.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.57 22.95 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.422 1.489 . . . . 0.0 112.599 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.24 160.82 23.07 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 120.275 1.398 . . . . 0.0 110.532 166.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 57' ' ' TYR . . . -74.03 -24.72 59.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.702 0.631 . . . . 0.0 112.702 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.62 -23.87 18.95 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.736 1.614 . . . . 0.0 111.398 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.448 ' HA ' HD21 ' A' ' 61' ' ' LEU . 73.0 t80 -73.16 -49.06 30.28 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 121.126 -0.984 . . . . 0.0 112.536 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 54' ' ' ALA . 13.3 p90 -83.43 -29.38 28.14 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.242 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -84.74 -18.58 34.71 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.404 1.082 . . . . 0.0 111.898 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.75 143.64 47.26 Favored 'General case' 0 C--N 1.342 0.275 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.25 147.29 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.711 0.805 . . . . 0.0 112.191 -173.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.6 mt -114.95 161.35 18.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.711 1.604 . . . . 0.0 108.649 177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -117.31 97.17 5.76 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 118.787 0.721 . . . . 0.0 109.664 -177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.756 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -76.21 111.05 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.0 t -93.62 82.88 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 14.2 m -74.53 99.54 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.114 1.766 . . . . 0.0 106.416 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t70 56.85 30.45 17.89 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 120.811 0.338 . . . . 0.0 111.669 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.35 -4.53 58.49 Favored Glycine 0 CA--C 1.534 1.235 0 CA-C-O 118.657 -1.079 . . . . 0.0 114.46 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -100.07 122.88 43.62 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.154 1.477 . . . . 0.0 108.385 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -98.51 108.83 21.62 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.098 0.959 . . . . 0.0 110.519 -162.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.454 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.89 131.42 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -171.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -85.96 128.01 34.75 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 123.449 0.699 . . . . 0.0 110.474 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG13 HG22 ' A' ' 70' ' ' ILE . 32.0 m -151.86 163.16 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.4 mtpt -135.25 136.09 41.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.548 1.139 . . . . 0.0 110.022 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.99 147.76 51.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -172.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -131.19 -38.67 1.21 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.732 1.213 . . . . 0.0 112.33 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -141.75 80.81 1.74 Allowed 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.602 HG12 HG23 ' A' ' 89' ' ' ILE . 25.8 m -77.14 140.77 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 158.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -121.87 114.95 21.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -76.01 162.19 28.26 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.031 0.532 . . . . 0.0 110.468 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 159.71 72.48 Favored Pre-proline 0 CA--C 1.536 0.441 0 C-N-CA 123.531 0.732 . . . . 0.0 110.778 169.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.82 -8.88 13.32 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.191 2.594 . . . . 0.0 113.77 -173.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -147.27 -55.2 0.23 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.88 1.218 . . . . 0.0 112.37 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' A' ' 83' ' ' LYS . 18.7 ptmt -83.24 157.15 65.92 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 126.012 1.725 . . . . 0.0 110.269 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.68 74.84 5.28 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.723 2.949 . . . . 0.0 111.167 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 72.7 mmtt -136.86 -167.66 2.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.659 1.584 . . . . 0.0 109.315 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD13 HD11 ' A' ' 89' ' ' ILE . 10.1 mt -133.41 137.85 45.97 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.934 1.694 . . . . 0.0 108.358 -172.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -86.65 -36.69 18.62 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.675 1.19 . . . . 0.0 110.511 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -176.24 154.67 1.4 Allowed 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 124.905 1.282 . . . . 0.0 109.644 -168.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.749 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -139.53 157.36 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -141.07 128.28 20.92 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.467 1.507 . . . . 0.0 107.521 -169.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -125.33 143.53 50.92 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -93.57 147.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 CA-C-N 118.555 0.616 . . . . 0.0 109.489 173.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -58.09 89.86 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.155 2.182 . . . . 0.0 110.329 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 124.681 1.192 . . . . 0.0 111.734 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C4'-C3'-C2' 100.348 -2.352 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C4'-C3'-C2' 100.034 -2.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 O4'-C1'-N19 110.809 2.609 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 1 O4'-C1'-N19 112.938 4.738 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 1 O4'-C1'-N19 114.532 6.332 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 C5'-C4'-O4' 112.861 2.615 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 111.171 2.971 . 0.205 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.443 " H1'" ' CG ' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.414 -3.23 1 O4'-C1'-N19 113.54 5.34 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 C4'-C3'-C2' 98.604 -4.096 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.552 0 C4'-C3'-C2' 99.797 -2.903 . 0.491 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 2 O4'-C1'-N19 112.893 4.693 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . 0.402 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 O4'-C1'-N19 111.388 3.188 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 110.772 2.572 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 1 O4'-C1'-N19 113.037 4.837 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.453 4.253 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 1 O4'-C1'-N19 112.806 4.606 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 112.061 3.861 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 O4'-C1'-N19 111.12 2.92 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.179 3.979 . 0.672 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 P-O3'-C3' 123.675 3.312 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 N19-C1'-C2' 119.65 3.906 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 O4'-C1'-N19 112.157 3.957 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O4'-C1'-N19 111.822 3.622 . 0.294 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 1 O4'-C1'-N19 113.243 5.043 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 C4'-C3'-C2' 99.549 -3.151 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 O4'-C1'-N19 113.658 5.458 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.15 0 C5'-C4'-O4' 113.321 2.944 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . 0.402 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.149 2.949 . 0.491 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.96 0 O4'-C1'-N19 111.873 3.673 . 0.255 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 O4'-C1'-N19 112.158 3.958 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 112.092 3.892 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.511 4.311 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.696 0 O4'-C1'-N19 110.862 2.662 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.519 0 O4'-C1'-N19 111.369 3.169 . 0.222 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 110.757 2.557 . 0.559 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 1 O4'-C1'-N19 113.153 4.953 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C1'-N19 111.851 3.651 . 0.83 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -63.09 -69.97 0.24 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.813 1.245 . . . . 0.0 109.956 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 m 58.61 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 128.117 2.567 . . . . 0.0 113.981 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.05 82.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -168.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.416 HD22 ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -60.25 107.39 0.64 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -175.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.86 -161.62 0.76 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.478 1.911 . . . . 0.0 107.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -152.15 142.95 22.95 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 167.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.48 144.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.642 -0.661 . . . . 0.0 110.835 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -138.15 157.48 46.23 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.077 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -136.57 -2.23 2.21 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.846 1.658 . . . . 0.0 113.361 168.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.35 13.15 0.18 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.8 2.44 . . . . 0.0 115.348 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -31.63 16.55 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 116.644 2.09 . . . . 0.0 116.644 -170.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.34 -1.43 0.03 OUTLIER Glycine 0 CA--C 1.546 1.99 0 C-N-CA 127.738 2.59 . . . . 0.0 117.919 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp 135.4 -25.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 1 C-N-CA 135.574 5.55 . . . . 0.0 110.264 169.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -48.49 -51.75 21.14 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.566 1.079 . . . . 0.0 111.798 176.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.09 69.3 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.202 1.401 . . . . 0.0 111.691 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 m -58.42 -29.37 66.06 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.801 -0.562 . . . . 0.0 111.51 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -40.15 15.92 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 115.941 -1.98 . . . . 0.0 111.793 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -34.73 78.49 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 122.041 2.201 . . . . 0.0 110.607 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -60.7 2.44 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.455 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.12 -20.55 64.18 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-O 118.417 -0.802 . . . . 0.0 112.478 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.34 -15.84 59.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -90.82 -59.07 2.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.286 1.034 . . . . 0.0 108.868 173.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 136.22 0.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 131.47 3.908 . . . . 0.0 111.813 -162.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -81.33 175.02 10.94 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 153.69 12.9 Favored Pre-proline 0 CA--C 1.545 0.777 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.45 162.09 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 121.51 1.473 . . . . 0.0 114.064 -167.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.46 179.96 6.93 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.602 1.161 . . . . 0.0 111.35 162.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 tp -135.52 157.48 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 125.63 1.572 . . . . 0.0 110.2 171.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.402 HG23 HG11 ' A' ' 72' ' ' VAL . 37.1 mt -127.85 94.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -117.31 -174.01 2.52 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -167.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.29 31.68 54.1 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 116.407 -0.361 . . . . 0.0 112.821 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.15 -102.99 0.83 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 tptt 174.59 -26.13 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.158 2.583 . . . . 0.0 110.592 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -93.78 -4.65 49.91 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.701 2.001 . . . . 0.0 111.339 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . 101.66 163.22 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 131.615 3.966 . . . . 0.0 109.855 -173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 10.6 Cg_endo -91.56 -166.98 0.19 Allowed 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.538 3.492 . . . . 0.0 112.318 -167.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.6 tp -148.03 102.72 3.41 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-O 121.377 0.608 . . . . 0.0 110.509 -171.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.61 134.35 45.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 175.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.441 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -131.07 141.3 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 178.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -90.94 113.78 26.09 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 127.586 2.354 . . . . 0.0 107.905 173.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.22 165.89 22.35 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 111.928 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -77.79 135.78 38.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.147 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -70.05 -52.37 24.54 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.382 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -60.05 -32.57 71.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.638 0.654 . . . . 0.0 111.964 -174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -58.72 -77.65 0.03 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.494 1.518 . . . . 0.0 108.67 166.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -60.54 -24.27 31.06 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -167.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 tpp -50.56 -64.32 0.84 Allowed 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 125.134 1.374 . . . . 0.0 108.876 167.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -56.32 -18.99 12.38 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 119.326 0.966 . . . . 0.0 113.429 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 mmt -84.72 -65.69 0.98 Allowed 'General case' 0 N--CA 1.435 -1.201 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.585 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -60.8 -9.01 3.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 120.024 1.284 . . . . 0.0 113.962 174.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.72 19.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.308 1.443 . . . . 0.0 111.758 175.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.94 158.28 32.38 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.881 1.218 . . . . 0.0 109.702 161.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.6 58.44 Favored 'General case' 0 N--CA 1.456 -0.13 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -57.52 -19.18 23.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.377 1.871 . . . . 0.0 111.873 173.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 53.6 t80 -75.38 -46.54 32.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 121.398 -0.814 . . . . 0.0 112.764 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -85.87 -28.17 24.57 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.24 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.0 t -78.31 -37.69 44.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.019 1.328 . . . . 0.0 110.531 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.71 148.09 49.9 Favored 'General case' 0 C--N 1.344 0.333 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -172.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -66.9 151.89 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 123.716 0.806 . . . . 0.0 112.652 -167.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB3' HD11 ' A' ' 4' ' ' ILE . 17.6 mt -115.58 160.83 19.48 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 127.161 2.184 . . . . 0.0 108.248 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.5 m -118.14 96.0 5.14 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 118.77 0.714 . . . . 0.0 109.454 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.436 HG22 HG13 ' A' ' 65' ' ' VAL . 1.2 mt -80.87 109.08 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 O-C-N 120.399 -1.438 . . . . 0.0 111.99 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' ' 5' ' ' ASN . 47.2 t -94.63 81.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.973 1.709 . . . . 0.0 108.228 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG22 HD13 ' A' ' 70' ' ' ILE . 34.7 m -74.5 94.93 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 126.21 1.804 . . . . 0.0 108.868 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.32 24.61 10.22 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.141 0.976 . . . . 0.0 112.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -2.86 34.48 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.823 1.201 . . . . 0.0 114.345 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -92.8 119.28 31.99 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -100.25 102.48 13.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.005 0.82 . . . . 0.0 110.679 -163.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.532 HG22 HG13 ' A' ' 72' ' ' VAL . 1.8 mp -105.91 127.06 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -167.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 14.4 mmtm -83.54 122.98 29.28 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.951 0.5 . . . . 0.0 110.506 175.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 70' ' ' ILE . 33.1 m -154.16 162.39 2.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 125.011 1.324 . . . . 0.0 112.194 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.4 137.35 24.26 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.13 138.83 56.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.177 0.923 . . . . 0.0 112.358 -169.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.27 -16.18 7.97 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.356 1.035 . . . . 0.0 111.646 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -159.52 125.39 4.29 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.433 1.893 . . . . 0.0 106.64 164.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.7 m -103.72 143.45 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 160.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -120.82 98.85 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -163.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 -77.48 161.85 27.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.847 0.859 . . . . 0.0 111.617 -170.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 159.52 33.32 Favored Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 122.655 0.382 . . . . 0.0 110.588 159.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -84.48 -24.24 2.49 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 123.537 2.825 . . . . 0.0 113.482 -170.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -147.56 11.19 0.98 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.072 0.949 . . . . 0.0 112.052 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -131.84 155.42 81.4 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 125.29 1.436 . . . . 0.0 108.488 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.55 49.13 2.97 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 124.439 3.426 . . . . 0.0 111.119 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -118.32 -176.9 3.16 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.021 1.728 . . . . 0.0 109.517 -172.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 89' ' ' ILE . 13.3 mt -121.84 164.99 16.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 126.068 1.747 . . . . 0.0 108.964 177.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -126.58 -27.56 3.11 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 127.796 2.439 . . . . 0.0 109.834 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 178.86 163.78 0.81 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 126.754 2.022 . . . . 0.0 109.265 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 73.2 mt -148.9 149.66 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 C-N-CA 125.666 1.586 . . . . 0.0 106.993 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -120.83 155.03 34.95 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 164.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.31 149.62 52.48 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 169.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.35 148.94 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 118.409 0.549 . . . . 0.0 109.824 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -58.16 93.45 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.861 2.065 . . . . 0.0 110.52 -177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 116.794 -1.574 . . . . 0.0 111.727 170.543 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 O4'-C1'-N19 114.837 6.637 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 P-O3'-C3' 123.178 2.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 111.731 3.531 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 113.348 5.148 . 0.525 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 1 O4'-C1'-N19 114.948 6.748 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.052 0 C3'-C2'-C1' 104.22 3.022 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 P-O3'-C3' 125.522 4.852 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.521 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.582 1 O4'-C1'-N19 113.117 4.917 . 0.438 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 2 C4'-C3'-C2' 97.646 -5.054 . 0.023 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.773 0 C4'-C3'-C2' 100.228 -2.472 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.404 2 O4'-C1'-N19 113.304 5.104 . 0.879 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 O4'-C1'-N19 111.204 3.004 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.379 3.179 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 1 O4'-C1'-N19 114.537 6.337 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.321 0 C5'-C4'-C3' 110.606 -3.263 . 0.032 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 1 O4'-C1'-N19 112.302 4.102 . 0.63 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 O4'-C1'-N19 112.778 4.578 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.633 1 O4'-C1'-N19 112.279 4.079 . 0.519 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.521 0 O4'-C1'-N19 111.212 3.012 . 0.559 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 0 P-O3'-C3' 123.542 3.201 . 0.309 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . 0.414 ' N3 ' " H2'" ' B' ' 292' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.44 2 O4'-C1'-N19 112.878 4.678 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 2 O4'-C1'-N19 113.659 5.459 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 O4'-C1'-N19 112.017 3.817 . 0.456 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 1 O4'-C1'-N19 114.341 6.141 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 C1'-O4'-C4' 112.313 3.015 . 0.086 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 1 O4'-C1'-N19 113.009 4.809 . 0.365 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C5'-C4'-O4' 113.398 2.998 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.53 0 O4'-C1'-N19 111.45 3.25 . 0.351 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 O4'-C1'-N19 111.596 3.396 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 O4'-C1'-N19 111.764 3.564 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 1 O4'-C1'-N19 112.313 4.113 . 0.492 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 112.011 3.811 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 N19-C1'-C2' 108.318 -3.176 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 O4'-C1'-N19 112.079 3.879 . 0.292 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 111.338 3.138 . 0.459 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 1 O4'-C1'-N19 112.456 4.256 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 O4'-C1'-N19 111.795 3.595 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ptm . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 58.97 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.575 1.55 . . . . 0.0 109.035 -158.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.8 m 62.73 95.86 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 128.782 2.833 . . . . 0.0 112.542 172.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.48 84.1 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -166.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.24 117.59 5.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -174.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.24 -161.37 1.02 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.21 1.404 . . . . 0.0 108.059 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -158.08 139.82 13.83 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.438 1.895 . . . . 0.0 105.951 168.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.86 141.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 O-C-N 121.65 -0.656 . . . . 0.0 111.551 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' CZ ' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -140.31 143.32 35.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.082 175.342 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.8 mmpt? -124.48 5.1 8.32 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.356 1.462 . . . . 0.0 112.951 173.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.43 11.49 2.97 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.235 2.214 . . . . 0.0 113.713 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -37.25 7.3 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.258 1.823 . . . . 0.0 115.426 -168.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.21 0.55 0.01 OUTLIER Glycine 0 CA--C 1.538 1.482 0 C-N-CA 130.359 3.838 . . . . 0.0 119.367 -170.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 2.2 mmtm 140.54 -33.58 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 1 C-N-CA 136.769 6.028 . . . . 0.0 108.193 170.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.01 -40.86 83.61 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.671 1.605 . . . . 0.0 113.607 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.32 -49.46 27.35 Favored 'General case' 0 C--N 1.341 0.227 0 CA-C-N 118.548 1.174 . . . . 0.0 110.203 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.8 p -61.21 -20.17 62.48 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.068 -1.02 . . . . 0.0 112.559 -170.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.99 -29.48 14.61 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 126.212 1.805 . . . . 0.0 113.411 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -77.09 -38.53 52.17 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.931 1.696 . . . . 0.0 109.89 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 41' ' ' GLU . 3.0 mp -58.71 -57.81 11.36 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.69 1.196 . . . . 0.0 110.125 174.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -63.09 -20.45 65.36 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.072 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.52 -15.28 59.92 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.49 -85.51 0.28 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 165.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -176.08 3.63 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 129.354 3.062 . . . . 0.0 110.85 173.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -76.11 176.42 8.02 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 126.8 2.04 . . . . 0.0 106.478 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.8 p90 -161.15 152.96 16.37 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -73.6 152.58 48.44 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.69 1.593 . . . . 0.0 112.364 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.33 179.96 6.09 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.009 1.324 . . . . 0.0 110.792 162.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -136.79 156.19 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.125 0 C-N-CA 124.144 0.977 . . . . 0.0 109.974 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.642 HD11 HG13 ' A' ' 63' ' ' ILE . 57.3 mt -127.15 93.15 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 178.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' PRO 0.251 5.5 p90 -105.17 -175.24 2.73 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -176.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.83 -14.04 0.1 OUTLIER Glycine 0 C--N 1.337 0.59 0 CA-C-O 118.134 -1.37 . . . . 0.0 114.984 -170.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 49.3 35.68 21.05 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.265 1.888 . . . . 0.0 115.715 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -129.99 -25.05 2.57 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 126.476 1.911 . . . . 0.0 113.035 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -135.47 6.23 3.25 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.871 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.9 153.42 0.11 Allowed Pre-proline 0 CA--C 1.543 0.685 0 C-N-CA 127.192 2.197 . . . . 0.0 110.92 -162.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.54 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 11.3 Cg_endo -91.51 -172.14 0.43 Allowed 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.483 2.122 . . . . 0.0 112.119 -163.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -151.77 98.06 2.43 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.347 0.594 . . . . 0.0 110.014 -166.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' CZ ' ' A' ' 9' ' ' ARG . . . -66.93 132.94 49.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.423 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.26 142.85 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 179.032 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 20' ' ' LEU . 20.1 tt0 -93.46 113.92 26.18 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 128.026 2.53 . . . . 0.0 107.829 175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.54 164.88 26.17 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.85 0.834 . . . . 0.0 111.194 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -76.0 132.88 40.44 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.263 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -66.89 -50.25 63.04 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.393 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.48 -34.78 76.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.384 0.538 . . . . 0.0 111.444 -176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.2 ttmm -62.73 -73.79 0.1 Allowed 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -58.93 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 -169.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 tpp -51.13 -63.38 1.15 Allowed 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.488 1.115 . . . . 0.0 108.542 169.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -56.87 -19.0 15.21 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mmt -83.31 -67.78 0.76 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -60.41 -7.75 2.26 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 176.133 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.0 -1.55 20.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 125.434 1.494 . . . . 0.0 111.877 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 158.99 31.95 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 120.012 1.278 . . . . 0.0 110.066 162.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.07 -23.15 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.25 -20.6 28.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 126.191 1.796 . . . . 0.0 111.598 172.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 53.0 t80 -70.8 -52.11 22.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.191 -0.943 . . . . 0.0 112.073 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -81.46 -28.65 34.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.939 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -78.97 -34.74 43.96 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.924 1.29 . . . . 0.0 110.991 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 127.9 45.26 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -169.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.97 145.06 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 126.018 1.727 . . . . 0.0 113.3 -171.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 8.3 mt -113.29 157.67 21.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.911 1.284 . . . . 0.0 108.194 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' HB ' HG23 ' A' ' 3' ' ' THR . 8.7 m -113.41 100.51 8.59 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 121.18 0.514 . . . . 0.0 109.623 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.642 HG13 HD11 ' A' ' 30' ' ' ILE . 5.2 mm -80.2 104.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 124.912 1.285 . . . . 0.0 108.207 -177.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.53 81.99 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 HD13 ' A' ' 70' ' ' ILE . 16.2 m -74.6 99.6 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.3 t70 56.06 30.93 17.15 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 121.012 0.434 . . . . 0.0 111.625 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.48 -3.0 57.66 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-O 118.581 -1.122 . . . . 0.0 114.578 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -101.1 125.05 47.69 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 119.305 1.552 . . . . 0.0 108.676 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -101.36 107.18 18.46 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.617 0.767 . . . . 0.0 111.283 -159.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.81 126.74 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -168.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.6 mmtm -85.67 124.51 32.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.548 0.739 . . . . 0.0 110.926 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.484 HG13 HG22 ' A' ' 70' ' ' ILE . 25.5 m -150.77 160.82 3.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 124.656 1.182 . . . . 0.0 113.416 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -132.9 134.97 45.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.624 1.17 . . . . 0.0 109.529 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.81 139.51 58.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.704 0.628 . . . . 0.0 112.158 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.62 -28.73 4.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.276 1.03 . . . . 0.0 111.402 -177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.72 116.35 2.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.892 2.077 . . . . 0.0 106.072 172.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.684 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -93.52 141.73 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 159.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -122.03 100.81 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.796 2.038 . . . . 0.0 105.734 -171.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -76.7 166.01 23.96 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.188 1.795 . . . . 0.0 111.14 -168.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.41 159.62 11.48 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 122.68 0.392 . . . . 0.0 110.844 159.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -84.36 -21.24 3.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.931 2.421 . . . . 0.0 113.18 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -149.34 9.83 0.75 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.924 0.89 . . . . 0.0 112.866 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -135.77 157.02 76.97 Favored Pre-proline 0 CA--C 1.536 0.408 0 C-N-CA 124.848 1.259 . . . . 0.0 109.004 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.67 55.44 5.51 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 124.184 3.256 . . . . 0.0 111.086 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.58 -174.04 2.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 126.097 1.759 . . . . 0.0 110.187 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -124.98 162.05 25.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.106 1.762 . . . . 0.0 108.77 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -127.9 -25.27 3.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 127.269 2.228 . . . . 0.0 110.409 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -176.09 159.03 2.06 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.603 1.561 . . . . 0.0 109.178 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.684 HG23 HG12 ' A' ' 77' ' ' VAL . 87.2 mt -146.74 152.5 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -124.06 159.35 30.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 165.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -134.6 156.8 48.06 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.822 1.649 . . . . 0.0 106.608 169.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 m -113.77 147.45 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 118.575 0.625 . . . . 0.0 109.612 173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -53.3 90.56 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.613 2.365 . . . . 0.0 111.034 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.816 -1.088 . . . . 0.0 111.574 172.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.181 -3.519 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 P-O3'-C3' 124.845 4.287 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 O4'-C1'-N19 111.231 3.031 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 113.668 5.468 . 0.569 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 O4'-C1'-N19 115.286 7.086 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O4'-C1'-N19 110.449 2.249 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.41 0 P-O3'-C3' 124.304 3.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.54 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.409 -3.664 1 O4'-C1'-N19 113.638 5.438 . 0.079 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.751 2 C4'-C3'-C2' 97.442 -5.258 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.442 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.408 -3.739 0 C4'-C3'-C2' 99.568 -3.132 . 0.532 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . 0.442 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.623 2 P-O3'-C3' 125.434 4.778 . 0.833 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . 0.437 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 O4'-C1'-N19 111.156 2.956 . 0.681 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.437 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 O4'-C1'-N19 111.642 3.442 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 1 O4'-C1'-N19 113.967 5.767 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 C5'-C4'-C3' 109.958 -3.695 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.88 1 O4'-C1'-N19 112.338 4.138 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 1 O4'-C1'-N19 113.681 5.481 . 0.427 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . 0.519 " C2'" ' H41' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.742 1 C3'-C2'-C1' 105.194 4.105 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 C5'-C4'-C3' 108.913 -4.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . 0.519 ' H41' " C2'" ' B' ' 284' ' ' ' U' . . . . . . . . 1 O4'--C4' 1.405 -4.02 0 C4'-C3'-O3' 117.961 2.831 OUTLIER-EPSILON 0.528 2[ . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.539 1 P-O3'-C3' 126.427 5.606 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 112.615 4.415 . 0.432 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 O4'-C1'-N19 112.072 3.872 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 O4'-C1'-N19 113.489 5.289 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.943 0 C4'-C3'-C2' 100.231 -2.469 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.524 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.819 1 O4'-C1'-N19 113.504 5.304 . 0.733 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.038 0 C5'-C4'-O4' 113.228 2.877 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . 0.402 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 O4'-C1'-N19 112.162 3.962 OUTLIER-DELTA 0.053 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 111.506 3.306 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 O4'-C1'-N19 112.295 4.095 . 0.545 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 1 O4'-C1'-N19 112.457 4.257 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.75 0 O4'-C1'-N19 112.189 3.989 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.22 4.02 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.541 0 O5'-C5'-C4' 114.898 3.356 . 0.061 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 P-O3'-C3' 122.957 2.714 . 0.425 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.986 1 O4'-C1'-N19 112.647 4.447 . 0.782 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . 0.437 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 O4'-C1'-N19 111.621 3.421 . 0.849 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptm . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.951 0.405 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 59.14 -80.1 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.472 1.509 . . . . 0.0 108.761 -158.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 17.6 m 63.59 100.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 128.837 2.855 . . . . 0.0 112.731 170.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.59 84.57 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -164.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -64.47 96.41 0.16 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.754 1.222 . . . . 0.0 110.195 -168.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -101.1 -158.54 0.68 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.163 0.985 . . . . 0.0 108.436 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -161.95 133.28 5.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.578 1.951 . . . . 0.0 106.288 172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -58.7 140.22 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 C-N-CA 123.502 0.721 . . . . 0.0 111.308 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.59 148.73 36.32 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.276 178.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.9 mmpt? -133.69 -2.97 2.96 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.369 1.467 . . . . 0.0 113.245 176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.99 13.87 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 129.026 2.93 . . . . 0.0 115.138 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -45.04 30.63 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -166.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -14.03 -63.1 0.01 OUTLIER Glycine 0 N--CA 1.473 1.111 0 C-N-CA 129.696 3.522 . . . . 0.0 114.036 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB2' ' H41' ' B' ' 297' ' ' ' C' . 5.1 mttp -171.1 -11.53 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 128.289 2.635 . . . . 0.0 109.212 158.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.5 -38.98 52.3 Favored Glycine 0 C--N 1.344 0.988 0 C-N-CA 126.574 2.035 . . . . 0.0 114.062 174.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 19' ' ' ARG . . . -80.04 -48.06 13.9 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 123.551 0.74 . . . . 0.0 110.954 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.8 m -59.71 -27.86 66.81 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -172.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -74.79 -57.22 4.05 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 115.955 -1.974 . . . . 0.0 109.069 170.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 16' ' ' ALA . 13.4 ptp180 -63.55 -42.75 98.37 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.774 2.079 . . . . 0.0 110.149 -164.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.05 -61.71 2.26 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 124.751 1.22 . . . . 0.0 110.01 174.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -59.4 -23.28 62.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.954 0.902 . . . . 0.0 112.402 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.46 -13.02 55.65 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.632 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.77 -85.12 0.45 Allowed 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 164.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.75 5.28 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.263 1.825 . . . . 0.0 112.288 -174.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -96.54 174.85 6.64 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.381 1.872 . . . . 0.0 106.526 -174.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.04 152.56 8.63 Favored Pre-proline 0 CA--C 1.536 0.42 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -70.66 163.05 40.37 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 121.478 1.452 . . . . 0.0 113.048 -170.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.51 179.41 6.57 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 125.281 1.432 . . . . 0.0 109.706 159.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tp -135.24 156.57 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 124.601 1.16 . . . . 0.0 110.214 169.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.802 HD11 HG13 ' A' ' 63' ' ' ILE . 75.7 mt -117.82 93.16 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.78 -179.75 0.21 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.865 1.266 . . . . 0.0 110.413 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.02 86.35 0.18 Allowed Glycine 0 C--N 1.337 0.615 0 N-CA-C 108.332 -1.907 . . . . 0.0 108.332 166.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.11 -12.42 16.01 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.587 1.089 . . . . 0.0 115.298 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -52.7 -44.07 66.04 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 128.267 2.627 . . . . 0.0 111.409 168.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -139.08 8.44 2.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.469 1.508 . . . . 0.0 113.992 -171.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB1' ' CD ' ' A' ' 37' ' ' PRO . . . 70.32 167.7 0.12 Allowed Pre-proline 0 CA--C 1.548 0.904 0 C-N-CA 127.156 2.182 . . . . 0.0 112.417 -178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 14.0 Cg_exo -79.41 -178.13 4.38 Favored 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 123.965 3.11 . . . . 0.0 115.429 -159.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tp -158.83 100.83 1.61 Allowed 'General case' 0 C--N 1.349 0.544 0 C-N-CA 122.677 0.391 . . . . 0.0 110.152 169.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.07 137.83 40.43 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.432 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.12 131.93 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 125.592 1.557 . . . . 0.0 108.031 -174.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -80.98 126.92 31.99 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 127.868 2.467 . . . . 0.0 108.668 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.45 168.32 20.01 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-O 121.701 0.763 . . . . 0.0 112.363 175.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.488 ' H ' ' HZ1' ' A' ' 46' ' ' LYS . 18.8 t70 -77.01 137.35 38.93 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.984 1.314 . . . . 0.0 109.239 177.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.447 ' HD1' HD12 ' A' ' 86' ' ' LEU . 6.6 t60 -72.14 -54.35 10.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 118.146 -0.931 . . . . 0.0 111.939 176.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.24 -30.46 69.42 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.907 0.776 . . . . 0.0 112.115 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.488 ' HZ1' ' H ' ' A' ' 43' ' ' ASP . 27.8 ttpt -59.84 -81.42 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 126.944 2.098 . . . . 0.0 109.681 167.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.12 -27.4 9.65 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 tpp -50.66 -65.06 0.62 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 124.62 1.168 . . . . 0.0 109.222 167.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -55.56 -18.27 7.16 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.7 mmt -84.51 -66.69 0.87 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 118.358 -0.83 . . . . 0.0 108.776 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.6 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -61.02 -8.38 3.21 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.007 1.276 . . . . 0.0 113.916 175.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.64 -1.19 17.89 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 125.387 1.475 . . . . 0.0 111.847 174.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 158.28 34.63 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.95 1.25 . . . . 0.0 109.888 160.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.22 60.29 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -56.15 -21.03 20.25 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.957 1.703 . . . . 0.0 111.776 171.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 73.0 t80 -72.12 -49.6 34.79 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.172 -0.955 . . . . 0.0 112.471 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -85.65 -25.5 26.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.456 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -83.39 -30.34 27.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.106 1.362 . . . . 0.0 110.979 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 127.78 44.09 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -173.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.49 145.04 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.969 1.708 . . . . 0.0 112.903 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 56' ' ' PHE . 39.1 mt -110.88 157.62 19.64 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 125.91 1.684 . . . . 0.0 108.038 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.1 m -111.78 98.46 7.41 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.802 HG13 HD11 ' A' ' 30' ' ' ILE . 5.3 mm -73.65 111.07 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 O-C-N 120.99 -1.069 . . . . 0.0 108.722 175.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.72 83.59 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 m -72.23 95.24 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 125.779 1.632 . . . . 0.0 108.532 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.2 t70 55.28 25.97 8.02 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.424 1.09 . . . . 0.0 112.468 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.53 -4.77 27.97 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.907 1.242 . . . . 0.0 114.695 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -101.06 126.04 47.72 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.432 1.616 . . . . 0.0 108.325 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -103.1 108.59 19.84 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 122.983 0.513 . . . . 0.0 110.725 -159.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.618 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.0 128.76 69.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -170.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 mmtm -83.25 124.61 30.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.468 0.707 . . . . 0.0 111.166 172.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG13 HG22 ' A' ' 70' ' ' ILE . 19.6 m -151.47 162.68 2.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 C-N-CA 124.881 1.273 . . . . 0.0 112.85 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -135.65 128.58 31.34 Favored 'General case' 0 CA--C 1.508 -0.651 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -63.19 127.47 31.41 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 124.504 1.128 . . . . 0.0 110.683 -177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -116.93 -16.22 10.56 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 124.256 0.973 . . . . 0.0 111.499 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -161.84 126.06 3.28 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 160.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.703 HG12 HG23 ' A' ' 89' ' ' ILE . 26.8 m -98.82 144.1 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 162.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.5 104.01 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 -174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -75.29 166.47 23.56 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.104 0.962 . . . . 0.0 110.362 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 162.26 51.13 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.651 0.78 . . . . 0.0 110.687 164.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -83.94 -24.8 2.57 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 123.486 2.791 . . . . 0.0 112.917 -171.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -147.71 10.22 0.93 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.702 1.201 . . . . 0.0 112.167 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -124.18 159.13 58.34 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 125.472 1.509 . . . . 0.0 108.425 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.76 9.05 2.07 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.715 2.943 . . . . 0.0 112.843 172.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -78.0 -177.77 5.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.49 1.116 . . . . 0.0 109.834 -175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 89' ' ' ILE . 11.9 mt -117.45 162.65 17.62 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.409 1.484 . . . . 0.0 108.309 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -123.18 -28.44 4.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.875 2.07 . . . . 0.0 111.014 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -178.37 162.11 1.46 Allowed 'General case' 0 C--N 1.345 0.372 0 C-N-CA 125.528 1.531 . . . . 0.0 109.295 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 77' ' ' VAL . 72.3 mt -147.24 146.06 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.33 155.56 29.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.78 0.832 . . . . 0.0 108.818 167.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -131.34 154.35 48.67 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.804 1.642 . . . . 0.0 107.325 165.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.3 m -102.2 158.8 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 118.066 -0.968 . . . . 0.0 108.628 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -62.25 100.98 0.19 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.133 0.878 . . . . 0.0 109.9 173.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.456 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.449 166.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 1 O4'-C1'-N19 114.51 6.31 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C3'-C2'-C1' 103.846 2.607 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.704 2.504 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 O4'-C1'-N19 112.662 4.462 . 0.51 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 1 O4'-C1'-N19 114.802 6.602 . 0.553 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.919 0 C5'-C4'-O4' 112.195 2.14 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.662 0 C5'-C4'-C3' 111.786 -2.476 . 0.591 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.489 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.464 2 O4'-C1'-N19 112.935 4.735 . 0.287 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 2 O4'-C1'-N19 112.741 4.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.727 0 N19-C1'-C2' 108.64 -2.975 . 0.5 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 113.358 5.158 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 111.625 3.425 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 O4'-C1'-N19 110.708 2.508 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 1 O4'-C1'-N19 114.0 5.8 . 0.698 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C5'-C4'-C3' 110.239 -3.507 . 0.05 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 1 O4'-C1'-N19 112.458 4.258 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.728 4.528 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.449 4.249 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 O4'-C1'-N19 111.406 3.206 . 0.541 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 P-O3'-C3' 122.664 2.47 . 0.505 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.382 -2.363 2 O4'-C1'-N19 113.06 4.86 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 2 O4'-C1'-N19 114.559 6.359 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.819 3.619 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 1 O4'-C1'-N19 113.191 4.991 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C5'-C4'-C3' 110.316 -3.456 . 0.12 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.406 ' H41' ' HB2' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.755 1 O4'-C1'-N19 112.914 4.714 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 0 C5'-C4'-O4' 113.168 2.835 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.453 3.253 OUTLIER-DELTA 0.134 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 O4'-C1'-N19 111.273 3.073 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 O4'-C1'-N19 111.723 3.523 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 1 O4'-C1'-N19 112.688 4.488 . 0.494 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.592 1 O4'-C1'-N19 113.256 5.056 . 0.566 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 P-O3'-C3' 122.029 1.94 . 0.671 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 P-O3'-C3' 123.295 2.996 . 0.164 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C4'-C3'-C2' 100.329 -2.371 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 O4'-C1'-N19 112.443 4.243 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.831 0 O4'-C1'-N19 111.705 3.505 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 tpt . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -46.62 -65.08 0.61 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.087 1.755 . . . . 0.0 111.457 -170.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m 59.14 104.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.28 2.632 . . . . 0.0 114.619 170.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.58 84.78 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -169.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.437 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.8 m120 -63.41 100.79 0.27 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.011 0.925 . . . . 0.0 110.546 -170.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -105.17 -160.12 0.74 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -158.03 139.0 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 167.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.1 m -63.29 134.98 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.71 -0.619 . . . . 0.0 110.841 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -129.59 148.34 51.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 174.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.3 mmpt? -128.44 -1.47 5.59 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.912 2.085 . . . . 0.0 112.49 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.96 14.29 0.3 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 128.158 2.583 . . . . 0.0 114.416 173.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -31.66 32.46 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.19 -14.58 1.34 Allowed Glycine 0 CA--C 1.537 1.452 0 C-N-CA 126.459 1.981 . . . . 0.0 116.391 -172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.625 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 166.28 -34.44 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 130.755 3.622 . . . . 0.0 109.747 158.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.93 -41.93 98.02 Favored Glycine 0 C--N 1.344 0.992 0 C-N-CA 124.496 1.046 . . . . 0.0 112.683 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . . . -64.03 -47.78 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 123.493 0.717 . . . . 0.0 111.447 173.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.5 m -55.92 -33.9 65.11 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.597 0.237 . . . . 0.0 111.462 -172.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.35 -34.58 14.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 116.632 -1.652 . . . . 0.0 112.379 -178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD3' ' HA ' ' A' ' 16' ' ' ALA . 7.5 ptt180 -71.54 -41.07 69.6 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.047 1.749 . . . . 0.0 110.907 177.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.75 -59.64 5.06 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.354 1.062 . . . . 0.0 109.573 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -57.76 -25.79 60.97 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 124.126 0.891 . . . . 0.0 111.433 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 -11.72 60.02 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.97 19.06 7.13 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 126.22 1.808 . . . . 0.0 112.577 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 66.47 7.71 5.23 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -84.19 177.59 8.15 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 159.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.78 154.77 9.09 Favored Pre-proline 0 CA--C 1.541 0.599 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -70.33 159.94 51.26 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 121.483 1.455 . . . . 0.0 113.479 -172.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 174.51 11.1 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.329 1.452 . . . . 0.0 109.596 160.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.4 tp -130.76 156.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.34 0.162 0 C-N-CA 125.348 1.459 . . . . 0.0 109.771 172.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.6 mt -126.86 94.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD1' HG12 ' A' ' 92' ' ' VAL 0.284 6.8 p90 -106.31 -174.88 2.64 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.49 -13.08 0.14 Allowed Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.123 -0.82 . . . . 0.0 114.062 -168.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.03 -55.21 3.1 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 126.181 1.848 . . . . 0.0 114.273 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' HE3' H5'' ' B' ' 305' ' ' ' G' . 75.2 mttt -61.02 -23.08 65.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.8 2.84 . . . . 0.0 113.056 -161.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -134.47 8.6 3.65 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.63 1.572 . . . . 0.0 112.613 -175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 63.01 162.04 0.12 Allowed Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.796 1.638 . . . . 0.0 111.247 -161.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.571 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 1.3 Cg_endo -96.41 -168.03 0.12 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.824 3.016 . . . . 0.0 111.808 -168.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -157.29 98.8 1.74 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 121.534 0.683 . . . . 0.0 109.521 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.94 132.96 46.0 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.495 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.87 129.14 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.128 1.371 . . . . 0.0 108.621 -174.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -81.93 116.2 21.46 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 130.513 3.525 . . . . 0.0 109.58 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -134.02 167.01 21.4 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.076 0.55 . . . . 0.0 111.833 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -74.09 134.26 42.91 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.55 -54.11 10.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.918 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -67.3 -23.61 65.67 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.871 0.759 . . . . 0.0 111.886 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -58.9 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.895 1.678 . . . . 0.0 109.274 161.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 p -50.28 -26.64 3.55 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 0.3 OUTLIER -49.8 -63.52 1.09 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 124.809 1.243 . . . . 0.0 109.595 168.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -55.65 -24.4 33.59 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.417 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.3 mmt -82.36 -65.57 0.99 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -174.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.4 -17.72 3.38 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.871 2.069 . . . . 0.0 113.162 172.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.27 -3.03 21.25 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 126.015 1.726 . . . . 0.0 112.862 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 157.58 35.35 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.472 1.487 . . . . 0.0 109.97 163.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.52 -23.58 61.03 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.14 -23.1 32.51 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.001 1.72 . . . . 0.0 111.704 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 51' ' ' GLN . 41.7 t80 -76.09 -43.84 41.54 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 121.168 -0.957 . . . . 0.0 112.915 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -86.39 -29.65 22.75 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.117 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.7 t -79.25 -28.21 42.4 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.393 1.077 . . . . 0.0 110.906 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 144.11 51.11 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -174.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.85 149.18 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.434 1.094 . . . . 0.0 112.777 -174.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 56' ' ' PHE . 24.2 mt -115.3 160.64 19.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.553 1.941 . . . . 0.0 108.44 177.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 m -117.64 95.69 5.05 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 118.943 0.792 . . . . 0.0 108.997 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 72' ' ' VAL . 1.7 mt -83.16 108.28 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 O-C-N 120.787 -1.196 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.437 ' HB ' HD22 ' A' ' 5' ' ' ASN . 24.2 t -92.55 83.16 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG22 HD13 ' A' ' 70' ' ' ILE . 5.0 m -74.53 94.53 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 C-N-CA 126.269 1.828 . . . . 0.0 107.44 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t0 57.71 27.29 14.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 0.0 112.295 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -9.71 31.42 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.686 -1.064 . . . . 0.0 114.201 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -97.42 120.66 38.19 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.177 1.488 . . . . 0.0 108.927 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -90.57 112.92 24.8 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 123.718 0.807 . . . . 0.0 111.093 -167.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.502 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -114.45 123.98 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.9 mmtm -83.15 122.11 27.94 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.418 0.687 . . . . 0.0 110.37 176.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 70' ' ' ILE . 27.3 m -149.54 155.61 8.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.406 0 C-N-CA 125.255 1.422 . . . . 0.0 112.278 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -126.46 131.73 51.6 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -64.27 137.6 58.01 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 124.05 0.843 . . . . 0.0 111.064 -178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -127.47 -34.64 2.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.243 1.417 . . . . 0.0 110.482 -165.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -154.11 107.41 2.91 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.282 1.433 . . . . 0.0 107.146 168.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.682 HG12 HG23 ' A' ' 89' ' ' ILE . 22.5 m -85.74 148.96 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 165.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -126.99 107.52 10.13 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -167.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -84.27 166.56 17.39 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.39 1.076 . . . . 0.0 111.898 -170.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 162.94 40.68 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.562 0.745 . . . . 0.0 111.101 164.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.36 -33.58 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.904 2.402 . . . . 0.0 112.839 -171.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.75 -12.25 1.75 Allowed 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.25 1.02 . . . . 0.0 113.122 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.57 160.14 27.09 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.412 . . . . 0.0 108.908 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.59 9.15 1.64 Allowed 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.592 2.861 . . . . 0.0 113.505 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -79.86 -169.69 2.1 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.134 2.174 . . . . 0.0 111.509 -171.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 89' ' ' ILE . 11.1 mt -125.46 158.04 35.43 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 126.839 2.055 . . . . 0.0 108.82 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -122.81 -23.76 4.98 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.88 1.672 . . . . 0.0 111.333 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -174.05 161.6 3.66 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 125.04 1.336 . . . . 0.0 109.742 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.682 HG23 HG12 ' A' ' 77' ' ' VAL . 78.1 mt -146.28 144.88 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -115.85 125.74 53.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 1.0 OUTLIER -112.07 160.98 16.99 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 161.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 31' ' ' TYR . 17.1 m -122.01 151.52 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.503 170.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -53.52 93.25 0.01 OUTLIER 'General case' 0 C--N 1.343 0.325 0 C-N-CA 126.6 1.96 . . . . 0.0 110.766 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.472 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.929 171.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 C5'-C4'-C3' 111.168 -2.888 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 P-O3'-C3' 123.124 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 O4'-C1'-N19 111.577 3.377 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 1 O4'-C1'-N19 113.162 4.962 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 O4'-C1'-N19 114.77 6.57 . 0.463 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.711 2.511 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 1 P-O3'-C3' 124.743 4.202 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.571 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.533 1 O4'-C1'-N19 113.915 5.715 . 0.231 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 2 C4'-C3'-C2' 97.292 -5.408 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.723 0 N19-C1'-C2' 109.254 -2.591 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 113.08 4.88 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 O4'-C1'-N19 111.375 3.175 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 O4'-C1'-N19 111.302 3.102 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 1 O4'-C1'-N19 113.846 5.646 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 C5'-C4'-C3' 109.853 -3.765 . 0.018 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.828 3.628 . 0.037 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 O4'-C1'-N19 113.27 5.07 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.682 3.482 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 P-O3'-C3' 122.533 2.361 . 0.663 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C5'-C4'-C3' 109.806 -3.796 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 N19-C1'-C2' 119.822 4.013 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.373 1 O4'-C1'-N19 113.803 5.603 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 112.481 4.281 . 0.547 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.426 2 O4'-C1'-N19 113.652 5.452 . 0.125 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O5'-C5'-C4' 114.702 3.215 OUTLIER-DELTA 0.029 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.625 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.887 1 O4'-C1'-N19 113.056 4.856 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.916 0 C5'-C4'-O4' 113.106 2.79 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C5'-C4'-C3' 110.312 -3.459 . 0.197 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 O4'-C1'-N19 111.45 3.25 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 O4'-C1'-N19 112.112 3.912 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 113.025 4.825 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.852 4.652 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.965 1 C4'-C3'-C2' 98.566 -4.134 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . 0.643 H5'' ' HE3' ' A' ' 34' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 111.339 3.139 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 0 O4'-C1'-N19 110.926 2.726 . 0.358 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.446 4.246 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 O4'-C1'-N19 111.974 3.774 . 0.847 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptm . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.774 -0.155 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -62.29 -55.21 30.48 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.214 1.006 . . . . 0.0 112.403 -165.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 m 62.56 114.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 128.097 2.559 . . . . 0.0 113.399 176.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.39 81.4 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 124.166 0.986 . . . . 0.0 108.365 -168.261 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.68 119.18 7.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -124.33 -161.86 1.03 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.041 1.337 . . . . 0.0 107.799 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.56 142.74 20.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 165.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 m -63.62 141.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.203 0.525 . . . . 0.0 110.799 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -137.72 155.69 48.82 Favored 'General case' 0 C--O 1.227 -0.106 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.509 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.1 mmpt? -134.57 -0.51 2.9 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.163 1.385 . . . . 0.0 112.872 168.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 11.57 0.61 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.066 2.146 . . . . 0.0 114.248 -176.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -38.29 9.25 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.892 2.077 . . . . 0.0 115.923 -166.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.31 7.65 0.01 OUTLIER Glycine 0 CA--C 1.545 1.938 0 C-N-CA 130.066 3.698 . . . . 0.0 120.143 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.676 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 6.0 mmtp 131.49 -27.48 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 1 C-N-CA 136.863 6.065 . . . . 0.0 109.477 174.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.76 -54.74 26.63 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.063 1.316 . . . . 0.0 112.176 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.58 64.04 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.753 0.821 . . . . 0.0 110.875 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.4 p -64.18 -22.0 66.77 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -167.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -38.23 17.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 116.637 -1.649 . . . . 0.0 111.269 173.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -69.89 -34.89 74.14 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.034 1.743 . . . . 0.0 110.691 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -55.72 10.69 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.863 -178.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -26.36 66.96 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.974 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.52 60.23 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.54 15.11 8.84 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.718 1.607 . . . . 0.0 112.826 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 65.93 9.28 5.99 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.77 0.828 . . . . 0.0 113.222 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -81.78 175.96 10.0 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 125.035 1.334 . . . . 0.0 108.443 165.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE1' HG11 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -159.94 153.84 19.53 Favored Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -77.12 160.75 33.0 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.679 1.586 . . . . 0.0 113.245 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.48 -178.35 5.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.479 1.111 . . . . 0.0 111.037 165.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -141.48 158.59 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 124.479 1.111 . . . . 0.0 110.224 175.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.625 HD11 HG13 ' A' ' 63' ' ' ILE . 55.2 mt -130.0 93.44 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 125.966 1.706 . . . . 0.0 106.51 -178.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.21 -169.02 1.58 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -166.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.46 8.99 87.0 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 124.693 1.14 . . . . 0.0 113.68 -172.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.94 -36.24 42.17 Favored Glycine 0 C--N 1.335 0.501 0 CA-C-O 119.597 -0.557 . . . . 0.0 114.33 -162.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 tttp 72.87 -16.05 0.48 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.6 2.36 . . . . 0.0 112.758 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.12 -23.72 38.16 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.067 2.147 . . . . 0.0 109.811 161.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 107.53 158.71 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.828 1 C-N-CA 133.802 4.841 . . . . 0.0 110.093 -177.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.752 ' HB2' HD11 ' A' ' 29' ' ' ILE . 83.5 Cg_exo -76.16 -166.41 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 124.664 3.576 . . . . 0.0 117.336 -165.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -150.3 102.91 3.11 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.257 1.023 . . . . 0.0 109.764 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.25 136.04 46.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.019 0.528 . . . . 0.0 109.957 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -133.02 141.07 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 125.153 1.381 . . . . 0.0 107.497 179.282 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -89.21 117.83 28.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.744 2.418 . . . . 0.0 108.548 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.84 168.34 19.24 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 121.35 0.595 . . . . 0.0 111.211 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.2 132.57 41.22 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.357 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -66.68 -49.43 66.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.671 -0.68 . . . . 0.0 109.406 174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -71.48 -27.43 63.23 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.853 0.752 . . . . 0.0 111.759 -170.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 50' ' ' MET . 23.1 ttmm -57.56 -77.71 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 CA-C-O 117.544 -1.217 . . . . 0.0 108.001 161.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' CE1' ' A' ' 26' ' ' PHE . 3.3 p -56.4 -26.06 21.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 CA-C-N 119.804 1.184 . . . . 0.0 113.39 -167.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.45 ' HA ' HD11 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -46.91 -64.26 0.82 Allowed 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 126.173 1.789 . . . . 0.0 109.34 167.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.83 -19.19 49.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -86.19 -68.72 0.72 Allowed 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -61.6 -8.4 4.39 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 178.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -58.02 -22.62 50.61 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.952 1.301 . . . . 0.0 112.442 173.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HE2' ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -127.38 152.82 46.99 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 118.71 0.686 . . . . 0.0 112.435 -168.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.84 -33.13 74.99 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.781 -166.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.0 -38.37 85.88 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.815 1.246 . . . . 0.0 110.007 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 8.6 t80 -56.89 -46.03 82.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 120.521 1.51 . . . . 0.0 111.127 175.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.09 59.7 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 118.784 -1.167 . . . . 0.0 111.83 -176.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.3 t -85.04 -16.17 41.6 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.107 0.963 . . . . 0.0 111.552 -172.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.21 172.22 8.44 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.319 1.448 . . . . 0.0 107.361 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.56 151.37 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 123.43 0.692 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' HB3' HD11 ' A' ' 4' ' ' ILE . 12.7 mt -118.72 157.47 27.42 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 126.48 1.912 . . . . 0.0 108.067 174.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.3 m -112.02 106.73 15.46 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.625 HG13 HD11 ' A' ' 30' ' ' ILE . 5.5 mm -85.07 104.74 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 125.081 1.352 . . . . 0.0 107.965 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.42 82.71 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 9.7 m -74.33 100.3 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 56.34 30.22 16.46 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 118.239 0.472 . . . . 0.0 111.863 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.42 -2.22 57.48 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-O 118.712 -1.049 . . . . 0.0 114.616 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 10.4 mtmt -102.84 124.44 48.37 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 119.064 1.432 . . . . 0.0 108.551 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -100.76 107.43 19.01 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.7 0.8 . . . . 0.0 110.854 -159.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -111.45 127.5 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -169.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -86.9 126.68 34.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 121.679 -0.638 . . . . 0.0 110.73 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG13 HG22 ' A' ' 70' ' ' ILE . 27.1 m -152.1 161.52 2.99 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.848 1.259 . . . . 0.0 113.169 177.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -131.61 136.03 47.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.91 0.884 . . . . 0.0 109.404 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.84 143.76 41.23 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.456 0.702 . . . . 0.0 112.149 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -135.61 -29.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.967 0.792 . . . . 0.0 111.527 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -158.39 100.32 1.65 Allowed 'General case' 0 C--N 1.341 0.226 0 C-N-CA 127.234 2.213 . . . . 0.0 105.986 174.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.798 HG12 HG23 ' A' ' 89' ' ' ILE . 21.3 m -93.85 136.15 26.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 161.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -98.17 139.09 34.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' C ' HE22 ' A' ' 87' ' ' GLN . 25.0 mmt85 -126.91 146.52 50.28 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.268 1.027 . . . . 0.0 109.631 -168.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.99 164.16 58.66 Favored Pre-proline 0 CA--C 1.539 0.558 0 C-N-CA 123.111 0.564 . . . . 0.0 110.622 -173.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.34 -5.47 11.04 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.918 2.412 . . . . 0.0 113.72 -170.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -135.95 -61.66 0.7 Allowed 'General case' 0 C--N 1.345 0.389 0 CA-C-N 119.055 0.843 . . . . 0.0 110.036 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -80.68 168.19 27.13 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 126.317 1.847 . . . . 0.0 109.445 171.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.59 0.48 9.88 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.176 1.917 . . . . 0.0 114.167 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -55.76 158.36 3.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.424 1.489 . . . . 0.0 114.023 -163.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 89' ' ' ILE . 9.2 mt -115.74 106.57 14.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.328 1.051 . . . . 0.0 109.366 -158.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.485 HE22 ' C ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -69.06 -27.53 65.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.35 173.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 178.44 158.14 0.49 Allowed 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.046 1.738 . . . . 0.0 109.343 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.798 HG23 HG12 ' A' ' 77' ' ' VAL . 90.1 mt -145.45 148.64 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 C-N-CA 125.932 1.693 . . . . 0.0 106.455 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -126.39 162.79 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 123.605 0.762 . . . . 0.0 109.114 168.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.01 151.97 51.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.9 m -104.69 147.57 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 174.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -56.57 91.65 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.22 2.208 . . . . 0.0 110.993 -176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.132 0 C-N-CA 124.166 0.986 . . . . 0.0 111.762 174.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C5'-C4'-C3' 111.585 -2.61 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.871 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 O4'-C1'-N19 110.214 2.014 . 0.372 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 1 O4'-C1'-N19 112.656 4.456 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 1 O4'-C1'-N19 114.571 6.371 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 C5'-C4'-O4' 112.688 2.491 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 110.823 2.623 . 0.617 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.438 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.296 1 O4'-C1'-N19 113.428 5.228 . 0.203 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 2 C4'-C3'-C2' 98.116 -4.584 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 1 N19-C1'-C2' 106.834 -4.104 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 2 O4'-C1'-N19 113.887 5.687 . 0.091 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O4'-C1'-N19 111.71 3.51 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.863 0 O4'-C1'-N19 111.926 3.726 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.519 1 O4'-C1'-N19 114.705 6.505 . 0.615 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 C5'-C4'-C3' 109.59 -3.94 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 O4'-C1'-N19 111.972 3.772 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 1 O4'-C1'-N19 113.331 5.131 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 1 O4'-C1'-N19 112.814 4.614 . 0.528 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.847 0 C3'-C2'-C1' 104.658 3.509 . 0.013 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.635 1 P-O3'-C3' 126.697 5.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.477 1 N19-C1'-C2' 121.554 5.096 . 0.024 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 1 O4'-C1'-N19 112.603 4.403 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 112.072 3.872 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 1 O4'-C1'-N19 114.512 6.312 . 0.548 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O5'-C5'-C4' 114.605 3.146 . 0.046 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.676 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 P--O5' 1.625 3.2 1 O4'-C1'-N19 112.547 4.347 . 0.421 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-O4' 113.846 3.319 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 O3'-P-O5' 98.223 -3.04 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 0 O4'-C1'-N19 112.13 3.93 . 0.11 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.884 3.684 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.671 1 O4'-C1'-N19 113.178 4.978 . 0.445 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 1 O4'-C1'-N19 112.514 4.314 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 1 C4'-C3'-C2' 98.373 -4.327 . 0.919 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.465 3.265 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 111.405 3.205 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O4'-C1'-N19 112.075 3.875 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 111.344 3.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 tpt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 119.057 -0.497 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.59 -75.89 0.07 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.585 1.154 . . . . 0.0 109.802 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 m 64.01 108.03 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 113.782 173.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.93 84.95 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 123.721 0.808 . . . . 0.0 109.239 -168.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -60.44 114.89 3.18 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -128.41 -166.26 1.6 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.768 2.027 . . . . 0.0 108.976 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -152.81 108.43 3.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 124.329 1.052 . . . . 0.0 109.971 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.706 HG13 ' HB ' ' A' ' 65' ' ' VAL . 18.3 m -49.54 118.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 118.247 0.476 . . . . 0.0 110.735 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -130.72 145.35 51.92 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.381 -174.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 10.1 mmpt? -126.49 -5.07 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -67.63 13.54 0.07 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 128.684 2.794 . . . . 0.0 115.249 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -34.7 16.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -172.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.71 -10.91 0.27 Allowed Glycine 0 CA--C 1.543 1.796 0 C-N-CA 127.18 2.324 . . . . 0.0 116.601 -175.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 149.06 -19.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 1 C-N-CA 133.266 4.626 . . . . 0.0 110.868 159.393 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.76 -34.52 61.07 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 118.906 0.775 . . . . 0.0 112.87 174.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.08 -47.91 12.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.383 1.073 . . . . 0.0 110.861 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -57.52 -30.43 65.16 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.708 -0.62 . . . . 0.0 111.301 -171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -45.77 13.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.64 1.976 . . . . 0.0 111.038 176.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.22 -40.07 95.29 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 121.811 2.096 . . . . 0.0 110.566 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.38 -61.88 2.25 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.395 1.078 . . . . 0.0 110.187 177.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -64.18 -19.69 65.49 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 119.625 -0.83 . . . . 0.0 112.431 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.37 -14.97 60.5 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -99.54 -88.59 0.34 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 169.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.77 7.99 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.863 2.465 . . . . 0.0 111.394 171.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -78.56 175.56 10.25 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 108.313 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.58 153.83 16.63 Favored Pre-proline 0 CA--C 1.545 0.775 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 175.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -73.81 162.11 40.13 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.715 1.61 . . . . 0.0 113.55 -170.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.83 177.86 8.05 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.306 1.042 . . . . 0.0 110.323 159.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.0 tp -136.17 152.86 30.74 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 C-N-CA 125.86 1.664 . . . . 0.0 109.802 171.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.501 HG23 HG11 ' A' ' 72' ' ' VAL . 31.6 mt -125.4 88.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.25 3.1 p90 -98.5 -177.26 3.63 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -177.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.97 -1.86 0.03 OUTLIER Glycine 0 C--N 1.34 0.792 0 CA-C-O 117.983 -1.454 . . . . 0.0 116.474 -173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 31.22 62.97 0.22 Allowed Glycine 0 CA--C 1.528 0.894 0 C-N-CA 127.005 2.241 . . . . 0.0 114.351 -172.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.36 -48.95 0.99 Allowed 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.049 1.34 . . . . 0.0 112.176 -174.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -131.12 -63.38 0.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 168.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -169.75 163.38 6.77 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.401 1.88 . . . . 0.0 110.071 170.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.632 ' HB2' HD11 ' A' ' 29' ' ' ILE . 93.8 Cg_exo -70.64 -169.34 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 124.617 3.545 . . . . 0.0 115.831 177.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 8' ' ' VAL . 12.7 tp -149.76 107.03 3.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.101 0.96 . . . . 0.0 109.26 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.52 133.19 47.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.084 0.553 . . . . 0.0 109.712 167.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.473 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.82 145.44 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 C-N-CA 125.223 1.409 . . . . 0.0 107.591 178.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -104.74 106.69 17.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.911 1.684 . . . . 0.0 107.617 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -123.26 165.8 16.33 Favored 'General case' 0 C--N 1.343 0.323 0 CA-C-O 121.967 0.889 . . . . 0.0 111.875 -172.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 125.2 28.92 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.297 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -62.91 -52.51 62.78 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.638 176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.03 -32.3 72.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.832 0.742 . . . . 0.0 111.961 -173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -60.98 -75.05 0.07 Allowed 'General case' 0 C--N 1.344 0.335 0 CA-C-O 117.793 -1.099 . . . . 0.0 108.626 167.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.0 p -57.33 -25.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 CA-C-N 119.626 1.103 . . . . 0.0 113.862 -170.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.436 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 0.1 OUTLIER -50.58 -62.23 1.72 Allowed 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 125.908 1.683 . . . . 0.0 108.632 170.143 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.67 -22.88 48.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 174.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.45 -67.37 0.79 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -53.47 -18.83 3.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.506 2.323 . . . . 0.0 112.692 173.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 -1.18 9.42 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 125.715 1.606 . . . . 0.0 112.524 173.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 161.77 22.84 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 120.241 1.382 . . . . 0.0 110.603 160.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.06 -20.59 52.04 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.91 -21.17 57.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.68 1.592 . . . . 0.0 110.918 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 61.1 t80 -70.87 -53.03 16.67 Favored 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 121.261 -0.899 . . . . 0.0 111.946 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -80.69 -30.69 36.42 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.004 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.7 t -74.94 -39.81 61.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.101 0.96 . . . . 0.0 110.225 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.35 130.94 53.43 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -167.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -54.88 148.78 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.834 1.253 . . . . 0.0 113.277 -167.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 4' ' ' ILE . 34.8 mt -112.87 151.43 30.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.081 1.353 . . . . 0.0 107.879 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.9 m -107.49 86.67 2.34 Favored 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.632 HG22 HG13 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -65.15 113.25 1.94 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.743 -1.223 . . . . 0.0 109.14 172.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.0 t -97.78 90.43 2.22 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 124.786 1.235 . . . . 0.0 108.625 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.706 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.4 m -84.42 103.83 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 C-N-CA 124.453 1.101 . . . . 0.0 109.537 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.8 t70 52.66 29.78 7.82 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 121.09 0.471 . . . . 0.0 111.078 -176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.98 -0.06 58.91 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 118.63 -1.095 . . . . 0.0 114.676 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 9.4 mtmt -99.41 126.76 45.36 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 119.316 1.558 . . . . 0.0 107.705 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -104.74 108.15 19.47 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.283 0.492 . . . . 0.0 110.668 -159.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.584 HD13 HG22 ' A' ' 65' ' ' VAL . 1.9 mp -111.08 125.77 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 108.714 -168.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -87.86 120.09 28.85 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.518 0.727 . . . . 0.0 110.271 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.539 ' CG2' HD13 ' A' ' 63' ' ' ILE . 29.0 m -148.51 159.77 6.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.384 1.073 . . . . 0.0 113.191 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -131.76 133.33 44.66 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 124.142 0.977 . . . . 0.0 109.4 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.61 134.53 51.36 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 124.296 0.998 . . . . 0.0 111.63 -171.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.86 -46.17 4.76 Favored 'General case' 0 CA--C 1.527 0.061 0 C-N-CA 125.182 1.393 . . . . 0.0 110.443 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -154.03 118.11 4.77 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.732 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -95.48 131.76 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 165.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -99.84 105.63 17.4 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.526 1.93 . . . . 0.0 105.884 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.0 163.85 27.18 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.273 1.029 . . . . 0.0 109.959 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.69 160.28 80.42 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 123.185 0.594 . . . . 0.0 110.508 165.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -84.86 -26.03 1.68 Allowed 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.834 3.022 . . . . 0.0 113.289 -172.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -141.85 2.3 1.55 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.626 1.571 . . . . 0.0 112.306 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.18 155.43 67.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 C-N-CA 124.724 1.21 . . . . 0.0 109.15 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -78.77 62.88 8.5 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.739 2.959 . . . . 0.0 108.964 166.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -132.05 -177.81 4.61 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.632 1.173 . . . . 0.0 109.056 -177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 89' ' ' ILE . 19.5 mt -122.32 156.3 34.17 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 126.278 1.831 . . . . 0.0 108.78 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -117.48 -30.21 5.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.103 1.761 . . . . 0.0 110.808 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -178.69 162.14 1.34 Allowed 'General case' 0 C--N 1.346 0.443 0 C-N-CA 125.64 1.576 . . . . 0.0 109.803 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.732 HG23 HG12 ' A' ' 77' ' ' VAL . 72.2 mt -144.75 144.54 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -116.28 132.06 56.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 127.092 2.157 . . . . 0.0 106.61 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.4 157.05 31.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 165.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -111.33 153.61 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -57.58 98.74 0.03 OUTLIER 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.171 0.989 . . . . 0.0 110.943 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.439 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.528 -0.748 . . . . 0.0 111.226 161.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 111.037 2.837 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C4'-C3'-C2' 99.091 -3.609 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 O4'-C1'-N19 111.541 3.341 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 1 O4'-C1'-N19 113.538 5.338 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 O4'-C1'-N19 115.086 6.886 . 0.513 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 110.808 2.608 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.403 1 P-O3'-C3' 124.771 4.225 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.501 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.421 1 O4'-C1'-N19 113.825 5.625 . 0.454 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 1 C4'-C3'-C2' 97.827 -4.873 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.672 0 N19-C1'-C2' 108.796 -2.877 . 0.479 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.849 1 O4'-C1'-N19 112.995 4.795 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 O4'-C1'-N19 111.439 3.239 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 111.892 3.692 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 1 O4'-C1'-N19 114.318 6.118 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 0 C5'-C4'-C3' 110.14 -3.574 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 O4'-C1'-N19 112.05 3.85 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.76 4.56 . 0.704 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 1 O4'-C1'-N19 112.732 4.532 . 0.4 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 0 O4'-C1'-N19 112.171 3.971 . 0.464 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 0 O4'-C1'-N19 111.596 3.396 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 2 P-O3'-C3' 127.47 6.475 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 114.342 6.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 O4'-C1'-N19 111.573 3.373 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 1 O4'-C1'-N19 113.752 5.552 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C5'-C4'-C3' 111.711 -2.526 . 0.049 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 1 O4'-C1'-N19 112.878 4.678 . 0.431 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C5'-C4'-O4' 113.317 2.941 . 0.37 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C5'-C4'-C3' 110.011 -3.659 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 111.156 2.956 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 1 O4'-C1'-N19 112.667 4.467 . 0.514 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 1 O4'-C1'-N19 112.631 4.431 . 0.326 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 1 O4'-C1'-N19 112.442 4.242 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C4'-C3'-C2' 98.778 -3.922 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.242 4.042 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 O4'-C1'-N19 111.158 2.958 . 0.593 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . 0.484 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.438 1 O4'-C1'-N19 114.311 6.111 OUTLIER-EPSILON 0.439 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . 0.484 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.413 -3.353 1 P-O3'-C3' 127.673 6.644 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 75.34 -31.37 0.2 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 127.541 2.336 . . . . 0.0 114.384 167.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 64.8 109.8 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.664 2.785 . . . . 0.0 113.033 174.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.94 81.56 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.138 0.975 . . . . 0.0 108.517 -168.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.457 HD22 ' HB ' ' A' ' 64' ' ' VAL . 2.6 m120 -60.17 117.41 5.12 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.985 -174.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -125.77 -161.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.747 1.219 . . . . 0.0 107.88 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -157.13 140.02 15.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -62.55 142.01 17.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-O 121.277 0.561 . . . . 0.0 110.894 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -136.2 157.7 46.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.597 173.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.0 mmpt? -135.11 -0.34 2.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.735 1.214 . . . . 0.0 112.831 169.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.13 14.01 0.61 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.072 1.749 . . . . 0.0 113.517 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -34.0 9.68 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.793 2.037 . . . . 0.0 115.149 -172.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.5 -25.16 0.27 Allowed Glycine 0 CA--C 1.535 1.311 0 C-N-CA 127.484 2.469 . . . . 0.0 116.226 -174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.668 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 5.7 mmtp 167.36 -26.87 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 130.659 3.583 . . . . 0.0 109.225 158.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.58 -39.46 66.56 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.21 1.386 . . . . 0.0 112.925 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.23 39.97 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.112 0.956 . . . . 0.0 110.809 174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -58.43 -27.89 64.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.39 -0.819 . . . . 0.0 111.619 -172.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -26.21 23.77 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 116.752 -1.594 . . . . 0.0 113.456 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.97 -38.84 31.37 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.414 1.916 . . . . 0.0 110.164 173.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.41 -54.14 44.63 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.051 0.94 . . . . 0.0 108.609 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -17.48 64.37 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 118.134 -0.936 . . . . 0.0 113.401 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.03 -23.72 62.22 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-O 117.803 -1.094 . . . . 0.0 113.419 175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.14 -85.78 0.5 Allowed 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.695 1.134 . . . . 0.0 108.364 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -167.99 8.25 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 112.295 -170.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -100.1 174.84 5.97 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.756 1.222 . . . . 0.0 108.366 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.8 p90 -158.32 153.31 21.39 Favored Pre-proline 0 CA--C 1.541 0.614 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -74.04 156.25 47.43 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.8 1.667 . . . . 0.0 112.557 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.03 178.09 7.42 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.058 0.943 . . . . 0.0 110.264 162.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -135.69 154.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 C-N-CA 125.29 1.436 . . . . 0.0 109.853 172.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 63' ' ' ILE . 43.0 mt -126.17 97.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 105.138 -2.171 . . . . 0.0 105.138 178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -173.37 2.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -169.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.32 31.77 45.42 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.927 167.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.04 -101.56 0.74 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.9 tptt 170.22 -28.91 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.612 2.765 . . . . 0.0 109.18 -166.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -124.67 35.63 4.76 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.292 2.237 . . . . 0.0 109.294 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 37' ' ' PRO . . . 75.42 167.18 0.12 Allowed Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 127.399 2.279 . . . . 0.0 112.543 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 2.6 Cg_endo -95.33 -167.8 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 125.014 3.809 . . . . 0.0 112.127 -169.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -152.56 99.85 2.5 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.233 0.613 . . . . 0.0 110.671 -169.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.69 133.36 46.56 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -132.26 138.87 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -86.44 117.93 25.54 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.366 2.267 . . . . 0.0 108.831 171.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.53 168.38 19.35 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.474 0.654 . . . . 0.0 111.648 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.3 133.28 38.84 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.286 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -65.79 -53.71 36.67 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.174 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.71 -26.35 65.23 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.544 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.1 ttmm -58.52 -76.21 0.04 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 162.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.456 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.2 p -57.26 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.47 -63.89 0.97 Allowed 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 126.019 1.727 . . . . 0.0 108.641 168.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -56.61 -20.74 22.63 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 3.4 mmt -84.47 -67.96 0.76 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -175.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.505 ' HA ' ' CG ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -57.15 -13.99 3.59 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.375 1.443 . . . . 0.0 113.778 176.47 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.97 -8.33 52.43 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-O 115.208 -2.33 . . . . 0.0 115.174 176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER -115.98 11.27 15.36 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-N 122.643 2.474 . . . . 0.0 117.546 -174.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.93 -38.02 0.15 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 130.409 3.484 . . . . 0.0 115.062 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -52.56 -14.34 0.49 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 128.742 2.817 . . . . 0.0 112.176 163.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 51' ' ' GLN . 73.2 t80 -69.95 -51.63 31.11 Favored 'General case' 0 CA--C 1.514 -0.404 0 O-C-N 120.77 -1.206 . . . . 0.0 111.836 173.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -78.5 -29.2 46.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.087 -175.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.1 t -80.0 -41.58 25.57 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.431 1.092 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.42 114.28 21.57 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -168.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.01 143.1 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 127.279 2.232 . . . . 0.0 113.419 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 56' ' ' PHE . 10.0 mt -109.76 160.59 16.2 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.3 1.04 . . . . 0.0 109.057 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.3 m -116.59 106.3 13.41 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 30' ' ' ILE . 4.3 mm -89.98 106.46 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 125.12 1.368 . . . . 0.0 107.676 -173.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' HB ' HD22 ' A' ' 5' ' ' ASN . 36.1 t -94.31 79.78 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -171.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.76 95.68 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 125.139 1.376 . . . . 0.0 108.361 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t70 55.76 26.55 9.62 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.07 0.948 . . . . 0.0 112.508 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 -7.35 30.8 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.75 1.167 . . . . 0.0 114.538 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -96.72 121.06 38.15 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 119.223 1.512 . . . . 0.0 108.218 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.67 109.17 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 124.531 1.132 . . . . 0.0 111.179 -164.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 128.87 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -169.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.4 mmtm -84.97 123.36 30.44 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.661 0.784 . . . . 0.0 110.944 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.476 HG13 HG22 ' A' ' 70' ' ' ILE . 32.3 m -149.94 160.63 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 124.363 1.04 . . . . 0.0 113.771 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -137.22 136.41 38.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.876 1.27 . . . . 0.0 109.532 -178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 152.36 15.55 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -133.54 -43.94 0.83 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.105 1.362 . . . . 0.0 111.099 171.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -141.15 88.55 2.17 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 89' ' ' ILE . 34.5 m -85.39 139.52 17.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 160.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -121.73 117.98 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 127.023 2.129 . . . . 0.0 106.406 -174.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -86.3 164.76 16.92 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.719 0.807 . . . . 0.0 110.459 -176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.54 161.01 55.63 Favored Pre-proline 0 CA--C 1.541 0.624 0 C-N-CA 123.894 0.878 . . . . 0.0 110.508 169.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -84.17 -6.62 10.23 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.392 2.728 . . . . 0.0 113.627 -171.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -144.28 -57.16 0.37 Allowed 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.598 1.09 . . . . 0.0 110.735 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -74.32 155.56 87.8 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 125.274 1.43 . . . . 0.0 109.85 170.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 19.34 0.77 Allowed 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.044 3.162 . . . . 0.0 113.602 -176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -77.05 -164.26 0.43 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.853 1.661 . . . . 0.0 110.6 -175.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.516 HD13 HD11 ' A' ' 89' ' ' ILE . 11.2 mt -126.81 160.14 31.77 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.592 1.157 . . . . 0.0 110.598 -176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -126.7 -28.44 2.98 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.177 1.791 . . . . 0.0 111.615 174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -170.55 157.77 6.01 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 124.082 0.953 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.679 HG23 HG12 ' A' ' 77' ' ' VAL . 65.9 mt -145.36 146.08 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.691 1.196 . . . . 0.0 109.077 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -127.04 129.32 47.8 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 126.887 2.075 . . . . 0.0 106.484 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.06 149.25 41.31 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 170.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.2 m -100.49 153.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -61.88 91.48 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.327 1.451 . . . . 0.0 110.971 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.372 -1.775 . . . . 0.0 111.592 171.639 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O5'-C5'-C4' 113.581 2.415 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 C5'-C4'-C3' 112.429 -2.047 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 O4'-C1'-N19 110.786 2.586 . 0.546 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 1 O4'-C1'-N19 113.563 5.363 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 114.736 6.536 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.951 0 O4'-C1'-N19 110.439 2.239 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 P-O3'-C3' 124.287 3.823 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.483 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.394 1 O4'-C1'-N19 113.8 5.6 . 0.226 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 1 C4'-C3'-C2' 98.117 -4.583 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 N19-C1'-C2' 108.048 -3.345 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 2 P-O3'-C3' 124.59 4.075 . 0.314 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . 0.451 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 O4'-C1'-N19 111.127 2.927 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.451 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 111.967 3.767 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 114.855 6.655 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 P-O3'-C3' 123.766 3.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 112.166 3.966 . 0.277 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 1 O4'-C1'-N19 113.836 5.636 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 1 O4'-C1'-N19 112.799 4.599 . 0.499 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.804 1 C3'-C2'-C1' 105.115 4.016 . 0.01 1g . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 1 P-O3'-C3' 127.318 6.349 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 C4'-C3'-C2' 98.801 -3.899 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 113.223 5.023 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 100.045 -2.655 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.28 1 O4'-C1'-N19 115.539 7.339 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.087 0 O5'-C5'-C4' 114.168 2.834 . 0.073 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.668 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 112.859 4.659 . 0.357 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 C5'-C4'-O4' 113.26 2.9 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . 0.421 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.918 0 O4'-C1'-N19 111.656 3.456 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 1 O4'-C1'-N19 112.234 4.034 . 0.554 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 O4'-C1'-N19 111.707 3.507 . 0.553 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 1 O4'-C1'-N19 113.115 4.915 . 0.448 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 1 O4'-C1'-N19 112.528 4.328 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 1 C4'-C3'-C2' 97.861 -4.839 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.096 1 O4'-C1'-N19 112.416 4.216 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C5'-C4'-C3' 111.609 -2.594 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 O4'-C1'-N19 111.795 3.595 . 0.846 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 0 O4'-C1'-N19 111.116 2.916 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -56.04 -66.46 0.43 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.653 1.581 . . . . 0.0 111.022 -171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 m 57.49 101.27 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.445 2.298 . . . . 0.0 114.037 173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.42 85.21 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -167.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -59.68 113.79 2.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.55 -161.96 0.85 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.387 1.475 . . . . 0.0 108.127 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -157.43 137.64 12.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.051 2.14 . . . . 0.0 105.415 170.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.87 143.95 15.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 O-C-N 121.798 -0.564 . . . . 0.0 111.051 -176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -146.48 150.21 35.16 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' A' ' 9' ' ' ARG . 8.5 mmpt? -127.19 2.59 6.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.248 1.819 . . . . 0.0 112.196 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.535 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 47.3 mt-10 -68.05 7.29 0.57 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.204 2.602 . . . . 0.0 115.588 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -29.84 17.62 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 116.895 2.183 . . . . 0.0 116.895 -162.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.75 43.98 0.01 OUTLIER Glycine 0 CA--C 1.545 1.928 0 C-N-CA 129.726 3.536 . . . . 0.0 117.942 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER 74.82 -19.46 0.38 Allowed 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 130.674 3.59 . . . . 0.0 111.847 -178.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.08 -68.31 1.75 Allowed Glycine 0 C--N 1.343 0.972 0 C-N-CA 126.357 1.932 . . . . 0.0 111.267 168.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' HB2' ' CB ' ' A' ' 11' ' ' GLU . . . -56.3 -26.33 51.63 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.949 1.374 . . . . 0.0 112.332 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 m -69.92 -35.02 74.23 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.779 -0.575 . . . . 0.0 110.218 -171.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.48 -17.85 23.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.94 1.696 . . . . 0.0 112.076 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 mtt85 -78.47 -46.37 19.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.01 1.277 . . . . 0.0 109.984 174.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.25 -51.98 46.51 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.84 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -21.59 66.02 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.993 173.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -16.51 61.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.36 15.3 13.0 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 125.343 1.457 . . . . 0.0 112.597 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 66.62 7.93 5.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.953 0.901 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' CG ' ' A' ' 41' ' ' GLU . 14.0 mtmm -84.6 179.14 7.45 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.106 1.362 . . . . 0.0 107.377 165.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.3 p90 -163.74 154.54 13.73 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -74.09 156.58 47.13 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 121.481 1.454 . . . . 0.0 111.809 -172.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.36 177.5 8.06 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.648 0.779 . . . . 0.0 110.01 162.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.3 tp -133.62 154.75 39.22 Favored 'Isoleucine or valine' 0 C--N 1.339 0.124 0 C-N-CA 124.688 1.195 . . . . 0.0 109.384 172.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.797 HD11 HG13 ' A' ' 63' ' ' ILE . 44.5 mt -123.73 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.84 -172.91 2.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -168.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.68 16.08 79.76 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-O 120.135 -0.259 . . . . 0.0 113.565 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' C ' ' H ' ' A' ' 35' ' ' GLU . . . -67.81 -20.46 72.38 Favored Glycine 0 CA--C 1.504 -0.644 0 CA-C-O 118.214 -1.325 . . . . 0.0 114.639 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 tptt 71.81 -18.12 0.32 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.91 2.484 . . . . 0.0 111.933 -171.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 33' ' ' GLY . 18.1 mm-40 -97.55 -75.2 0.55 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 127.279 2.232 . . . . 0.0 105.568 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.94 163.96 16.8 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.684 1.194 . . . . 0.0 111.095 166.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.643 ' HB2' HD11 ' A' ' 29' ' ' ILE . 64.7 Cg_exo -72.81 -168.57 0.42 Allowed 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 124.917 3.745 . . . . 0.0 116.138 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tp -154.22 106.45 2.79 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.641 1.177 . . . . 0.0 109.712 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.52 135.85 44.04 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.475 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.91 134.56 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 C-N-CA 125.808 1.643 . . . . 0.0 107.889 -176.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' CG ' ' HE2' ' A' ' 25' ' ' LYS . 25.4 tt0 -83.93 114.87 21.99 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 128.426 2.69 . . . . 0.0 109.102 173.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.49 166.65 20.87 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.601 0.761 . . . . 0.0 111.34 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 46' ' ' LYS . 10.2 t70 -74.57 132.57 41.91 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.628 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -50.93 48.2 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.335 177.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.63 -29.07 68.3 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.238 0.472 . . . . 0.0 111.198 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 21.8 ttmm -59.83 -75.31 0.06 Allowed 'General case' 0 C--N 1.345 0.405 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 166.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.0 p -57.81 -26.63 28.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -168.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 tpp -50.61 -62.49 1.57 Allowed 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 123.822 0.849 . . . . 0.0 108.878 170.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -57.22 -22.48 41.18 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -81.25 -66.64 0.86 Allowed 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -176.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.11 -17.76 3.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.539 2.336 . . . . 0.0 112.832 173.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.11 -5.99 30.83 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 125.401 1.481 . . . . 0.0 112.474 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 157.24 34.92 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 120.334 1.425 . . . . 0.0 110.198 166.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -21.03 61.62 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.629 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.38 -23.59 50.11 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.54 1.536 . . . . 0.0 111.55 172.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 50.2 t80 -71.96 -52.97 14.53 Favored 'General case' 0 N--CA 1.451 -0.422 0 O-C-N 121.321 -0.862 . . . . 0.0 111.994 -178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -76.27 -30.07 57.67 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.302 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 t -80.71 -40.53 25.18 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.27 1.028 . . . . 0.0 110.766 -179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.17 120.61 33.72 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -166.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -51.46 146.86 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.081 1.752 . . . . 0.0 114.416 -166.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.4 mt -109.86 158.22 18.4 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.008 1.723 . . . . 0.0 107.493 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.9 m -115.98 98.99 6.95 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.797 HG13 HD11 ' A' ' 30' ' ' ILE . 3.6 mm -76.55 110.89 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 O-C-N 121.384 -0.822 . . . . 0.0 108.951 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.6 t -94.73 81.83 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.85 96.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.232 0 C-N-CA 125.675 1.59 . . . . 0.0 108.364 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t70 55.19 27.84 10.21 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.932 0.893 . . . . 0.0 112.29 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.38 -2.3 37.22 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-O 118.476 -1.18 . . . . 0.0 114.697 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -100.72 124.75 46.79 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 119.498 1.649 . . . . 0.0 107.988 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -103.32 108.01 19.07 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.709 0.804 . . . . 0.0 110.832 -159.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.51 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.89 126.57 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -166.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.3 mmtm -83.57 124.62 30.95 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 122.932 0.493 . . . . 0.0 110.214 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.51 HG13 HG22 ' A' ' 70' ' ' ILE . 30.5 m -153.83 162.37 2.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 O-C-N 124.852 1.345 . . . . 0.0 111.733 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -148.03 142.74 26.65 Favored 'General case' 0 CA--C 1.515 -0.373 0 O-C-N 122.055 -0.403 . . . . 0.0 110.247 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.24 128.75 37.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.787 -170.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -115.64 -18.49 10.86 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.166 0.916 . . . . 0.0 111.707 167.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -151.36 98.64 2.56 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.647 HG12 HG23 ' A' ' 89' ' ' ILE . 34.2 m -95.24 144.93 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 162.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -116.97 112.11 20.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 126.366 1.866 . . . . 0.0 106.382 -178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -81.83 164.59 21.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.97 1.308 . . . . 0.0 110.804 -177.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.85 66.22 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.139 0.576 . . . . 0.0 110.677 162.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -83.88 -25.69 2.26 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 123.919 3.08 . . . . 0.0 113.218 -173.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 10.68 0.86 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.048 0.939 . . . . 0.0 112.697 -176.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -123.45 157.56 61.47 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 125.144 1.377 . . . . 0.0 108.862 174.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -78.23 55.15 5.25 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 124.113 3.208 . . . . 0.0 109.739 167.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -126.46 -176.11 3.58 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.612 1.165 . . . . 0.0 109.312 -175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 89' ' ' ILE . 14.9 mt -127.94 159.88 33.58 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 125.763 1.625 . . . . 0.0 108.044 -175.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -122.22 -25.26 4.9 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.426 1.49 . . . . 0.0 110.708 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -177.82 158.33 1.28 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 125.551 1.541 . . . . 0.0 110.228 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.712 HD11 HD13 ' A' ' 86' ' ' LEU . 87.3 mt -143.77 148.73 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 124.116 0.966 . . . . 0.0 108.772 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.43 117.42 20.52 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.406 2.282 . . . . 0.0 106.435 -176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -107.52 140.98 39.67 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.34 148.29 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-N 119.393 0.997 . . . . 0.0 108.943 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -59.85 91.94 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.474 1.91 . . . . 0.0 110.629 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.772 -1.585 . . . . 0.0 111.474 169.517 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 1 C4'-C3'-C2' 98.693 -4.007 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.402 1 P-O3'-C3' 124.997 4.414 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 P-O3'-C3' 122.67 2.475 . 0.354 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 1 O4'-C1'-N19 112.713 4.513 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 1 O4'-C1'-N19 114.114 5.914 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.982 0 C5'-C4'-O4' 112.299 2.213 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C5'-C4'-C3' 112.117 -2.255 . 0.789 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.45 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.426 1 O4'-C1'-N19 113.391 5.191 . 0.261 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 P-O3'-C3' 124.144 3.703 . 0.093 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.736 0 C3'-C2'-C1' 104.246 3.052 . 0.319 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 2 O4'-C1'-N19 112.772 4.572 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . 0.421 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.579 3.379 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.421 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.747 0 O4'-C1'-N19 112.103 3.903 . 0.408 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.653 1 O4'-C1'-N19 114.822 6.622 . 0.402 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.905 -4.397 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 1 O4'-C1'-N19 112.326 4.126 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.916 3.716 . 0.657 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.292 0 C5'-C4'-C3' 109.747 -3.836 . 0.509 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.94 0 C5'-C4'-C3' 111.359 -2.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . 0.454 " H4'" " H5'" ' B' ' 292' ' ' ' G' . . . . . . . . 1 O4'--C4' 1.399 -4.475 0 O5'-C5'-C4' 114.485 3.06 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . 0.454 " H5'" " H4'" ' B' ' 291' ' ' ' C' . . . . . . . . 0 P--O5' 1.622 2.91 2 P-O3'-C3' 126.695 5.829 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 O4'-C1'-N19 111.488 3.288 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C1'-N19 111.548 3.348 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 1 O4'-C1'-N19 113.047 4.847 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O5'-C5'-C4' 112.976 1.983 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 1 O4'-C1'-N19 112.672 4.472 . 0.648 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C5'-C4'-O4' 113.25 2.893 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . 0.418 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 O3'-P-O5' 97.887 -3.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 O4'-C1'-N19 111.775 3.575 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.78 0 O4'-C1'-N19 112.05 3.85 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.64 1 O4'-C1'-N19 113.227 5.027 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 1 O4'-C1'-N19 112.563 4.363 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C3'-C2'-C1' 104.399 3.221 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.488 4.288 . 0.39 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.356 3.156 . 0.569 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.557 3.357 . 0.754 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 110.946 2.746 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 76.48 -31.56 0.19 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 127.559 2.344 . . . . 0.0 113.755 165.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 62' ' ' THR . 22.0 m 68.0 108.31 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.35 2.66 . . . . 0.0 112.317 170.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -105.49 83.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.178 0 C-N-CA 123.472 0.709 . . . . 0.0 109.389 -169.074 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.484 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.9 m120 -59.84 117.97 5.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.082 0.553 . . . . 0.0 109.543 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.95 -161.19 0.94 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.724 1.61 . . . . 0.0 108.082 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -158.4 139.96 13.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.858 2.063 . . . . 0.0 106.143 167.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' HA ' HG22 ' A' ' 40' ' ' ILE . 3.4 m -63.21 134.37 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 O-C-N 121.62 -0.675 . . . . 0.0 111.118 -176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -127.64 156.78 41.77 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.747 173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.7 mmpt? -134.83 -2.88 2.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.264 1.426 . . . . 0.0 113.061 167.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.23 12.79 0.11 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.903 2.481 . . . . 0.0 115.127 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.61 -34.59 11.91 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -172.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.97 -16.87 0.05 OUTLIER Glycine 0 CA--C 1.532 1.144 0 C-N-CA 128.12 2.771 . . . . 0.0 117.591 -174.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 160.89 -34.16 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 1 C-N-CA 132.402 4.281 . . . . 0.0 107.805 159.643 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.83 -33.32 49.45 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 126.14 1.829 . . . . 0.0 113.988 -177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -51.24 12.76 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 118.439 1.12 . . . . 0.0 110.385 171.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.0 m -58.37 -23.52 57.22 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.34 -0.85 . . . . 0.0 112.526 -173.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -36.23 14.2 Favored 'General case' 0 C--O 1.221 -0.434 0 C-N-CA 126.223 1.809 . . . . 0.0 112.688 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.86 -40.56 68.89 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 121.445 1.929 . . . . 0.0 110.399 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.62 -59.52 5.27 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.764 1.226 . . . . 0.0 109.944 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -64.46 -19.15 65.38 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.505 176.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -15.45 60.24 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.95 -92.84 0.22 Allowed 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 167.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -165.74 9.92 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.769 2.427 . . . . 0.0 111.164 169.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -75.31 174.37 9.63 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 125.796 1.639 . . . . 0.0 108.471 174.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 3.6 p90 -159.35 151.74 17.62 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 175.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -72.75 158.91 49.61 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.144 1.229 . . . . 0.0 113.347 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.71 179.41 7.01 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 124.253 1.021 . . . . 0.0 110.631 163.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.46 160.81 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 124.546 1.138 . . . . 0.0 109.394 174.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.582 HD11 HG13 ' A' ' 63' ' ' ILE . 47.1 mt -131.14 95.26 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CD1' HG12 ' A' ' 92' ' ' VAL . 1.2 p90 -113.87 -179.68 3.7 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -171.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.16 23.5 63.3 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.07 175.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.0 -86.33 0.08 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -167.49 -55.67 0.03 OUTLIER 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 124.772 1.229 . . . . 0.0 107.786 161.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -81.25 -48.65 11.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.122 0.969 . . . . 0.0 109.81 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.05 163.76 18.46 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.958 0.903 . . . . 0.0 111.987 -176.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 5.6 Cg_endo -92.36 -167.82 0.2 Allowed 'Trans proline' 0 CA--C 1.543 0.926 1 C-N-CA 125.935 4.423 . . . . 0.0 111.8 178.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -152.44 102.31 2.73 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.651 0.78 . . . . 0.0 109.799 -171.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.32 133.83 43.98 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.534 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -140.61 127.44 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 -174.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.48 122.8 26.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.378 2.671 . . . . 0.0 109.432 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.34 169.33 17.87 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-O 121.84 0.829 . . . . 0.0 113.122 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.28 131.69 39.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.757 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.09 -51.25 62.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.224 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.43 -40.71 78.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 118.294 0.497 . . . . 0.0 111.392 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 50' ' ' MET . 1.0 OUTLIER -59.04 -77.77 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.5 p -55.29 -27.38 20.15 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 7.3 tpp -49.94 -63.37 1.13 Allowed 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 125.033 1.333 . . . . 0.0 108.787 172.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -59.39 -19.58 48.2 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 4.2 mmt -83.71 -69.3 0.65 Allowed 'General case' 0 N--CA 1.433 -1.317 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.543 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -51.66 -19.89 1.78 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.871 2.868 . . . . 0.0 113.896 176.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -57.61 -19.46 26.17 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.377 1.471 . . . . 0.0 113.028 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.75 45.44 Favored 'General case' 0 C--N 1.344 0.349 0 CA-C-O 121.402 0.62 . . . . 0.0 112.384 -171.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -33.22 75.12 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.065 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.08 -5.64 36.73 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.882 1.673 . . . . 0.0 111.911 -179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 17.7 t80 -82.16 -53.63 5.92 Favored 'General case' 0 CA--C 1.503 -0.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.725 167.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -69.36 -32.22 71.14 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 118.134 -1.426 . . . . 0.0 110.924 -173.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -82.79 -34.58 26.98 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.682 1.193 . . . . 0.0 111.963 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.09 115.1 22.46 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.526 1.057 . . . . 0.0 108.17 -166.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -41.14 142.2 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 127.35 2.26 . . . . 0.0 113.346 -170.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' A' ' 56' ' ' PHE . 10.2 mt -114.33 156.1 25.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.485 1.114 . . . . 0.0 108.9 -176.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' HG23 ' A' ' 3' ' ' THR . 5.7 m -110.25 99.63 8.64 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.582 HG13 HD11 ' A' ' 30' ' ' ILE . 4.6 mm -78.45 107.67 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 O-C-N 121.026 -1.046 . . . . 0.0 108.425 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.484 ' HB ' HD22 ' A' ' 5' ' ' ASN . 40.0 t -91.92 84.74 2.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 -177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.534 HG11 HG21 ' A' ' 40' ' ' ILE . 7.4 m -76.71 97.84 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 -176.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 57.43 29.83 17.62 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 120.88 0.372 . . . . 0.0 111.787 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.93 -3.46 52.29 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.696 -1.058 . . . . 0.0 114.485 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -102.43 123.1 45.59 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 119.114 1.457 . . . . 0.0 109.258 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.24 110.58 23.1 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.953 0.901 . . . . 0.0 111.084 -162.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -113.5 131.9 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -172.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 12.2 mmtm -88.23 129.31 35.39 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.65 1.18 . . . . 0.0 110.756 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 24.1 m -153.95 160.31 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.671 1.988 . . . . 0.0 111.091 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -131.89 132.78 43.93 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.854 0.862 . . . . 0.0 109.315 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.05 134.12 56.2 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 119.229 -0.415 . . . . 0.0 111.388 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -113.68 -31.56 6.43 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.946 0.779 . . . . 0.0 112.153 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -155.22 109.39 2.9 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.085 1.354 . . . . 0.0 107.489 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 89' ' ' ILE . 34.9 m -97.01 146.15 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 164.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -125.12 115.67 20.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 -176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -80.03 166.1 21.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.198 0.999 . . . . 0.0 111.439 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.7 161.14 47.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 122.994 0.518 . . . . 0.0 110.808 163.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -81.55 -26.27 3.29 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.403 2.736 . . . . 0.0 113.38 -173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -139.67 -6.68 1.3 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.195 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -114.74 155.72 45.84 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 124.769 1.227 . . . . 0.0 109.055 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 56.79 5.81 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.893 3.062 . . . . 0.0 110.154 171.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -124.81 -170.77 2.22 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 125.146 1.378 . . . . 0.0 109.949 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 89' ' ' ILE . 7.9 mt -129.04 144.29 51.14 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 126.163 1.785 . . . . 0.0 108.083 -175.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -98.92 -32.37 11.35 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.044 1.738 . . . . 0.0 110.241 170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -176.46 157.94 1.74 Allowed 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.29 1.436 . . . . 0.0 109.091 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.71 HG23 HG12 ' A' ' 77' ' ' VAL . 80.1 mt -145.9 148.84 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -119.29 156.44 29.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 164.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.74 157.16 39.85 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 105.68 -1.971 . . . . 0.0 105.68 165.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 31' ' ' TYR . 3.2 m -119.39 143.61 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -56.3 95.86 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.464 1.906 . . . . 0.0 112.796 -164.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.254 1.327 0 CA-C-N 114.525 -1.216 . . . . 0.0 111.711 166.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 112.948 4.748 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 O4'-C1'-N19 111.17 2.97 . 0.208 2h . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 O4'-C1'-N19 111.316 3.116 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 112.82 4.62 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 1 O4'-C1'-N19 114.039 5.839 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 C5'-C4'-O4' 112.339 2.242 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.912 0 C5'-C4'-C3' 111.868 -2.422 . 0.813 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.474 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.327 1 O4'-C1'-N19 113.401 5.201 . 0.468 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 1 C4'-C3'-C2' 98.54 -4.16 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 N19-C1'-C2' 108.18 -3.262 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 2 O4'-C1'-N19 113.021 4.821 . 0.223 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . 0.411 ' C2 ' " H1'" ' B' ' 279' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 O4'-C1'-N19 110.87 2.67 . 0.69 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.411 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.822 3.622 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 O4'-C1'-N19 114.785 6.585 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O5'-C5'-C4' 114.61 3.15 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 O4'-C1'-N19 111.905 3.705 . 0.262 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.257 5.057 . 0.673 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 1 O4'-C1'-N19 113.006 4.806 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 O4'-C1'-N19 111.11 2.91 . 0.392 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 1 O4'-C1'-N19 112.207 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C1'-N19 112.891 4.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 1 O4'-C1'-N19 112.926 4.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 O4'-C1'-N19 110.589 2.389 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 O4'-C1'-N19 113.33 5.13 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 C4'-C3'-C2' 99.775 -2.925 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.585 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.975 1 O4'-C1'-N19 112.615 4.415 . 0.723 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.55 0 P-O3'-C3' 124.223 3.769 . 0.053 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . 0.404 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O3'-P-O5' 98.626 -2.828 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.85 3.65 . 0.131 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 112.39 4.19 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 1 O4'-C1'-N19 112.614 4.414 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 1 O4'-C1'-N19 112.637 4.437 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.003 0 C3'-C2'-C1' 104.763 3.625 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.318 4.118 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 C4'-C3'-C2' 99.631 -3.069 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . 0.41 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 113.685 5.485 OUTLIER-EPSILON 0.648 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . 0.41 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.41 -3.6 3 P-O3'-C3' 125.553 4.877 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 ptm . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.394 0.14 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 47.54 47.14 17.61 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.021 -1.674 . . . . 0.0 110.512 -158.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 m -84.77 127.98 34.39 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 128.421 2.689 . . . . 0.0 108.015 171.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.408 HG22 HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -124.56 81.35 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -168.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.455 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -62.25 116.17 4.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.306 1.042 . . . . 0.0 109.368 -170.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -122.48 -161.39 0.94 Allowed 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.426 1.09 . . . . 0.0 108.533 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -154.46 140.63 18.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 166.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 m -63.4 139.43 21.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.913 0.387 . . . . 0.0 110.221 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -140.34 145.36 37.08 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.061 178.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -125.44 3.03 7.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.865 0.866 . . . . 0.0 112.826 171.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.17 15.1 1.24 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.377 1.871 . . . . 0.0 113.023 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -34.0 33.5 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.149 2.18 . . . . 0.0 115.863 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.56 22.64 0.03 OUTLIER Glycine 0 CA--C 1.543 1.835 0 C-N-CA 128.242 2.829 . . . . 0.0 118.628 -171.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.4 OUTLIER 124.86 -30.61 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 1 C-N-CA 136.993 6.117 . . . . 0.0 109.802 168.902 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.3 98.31 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 124.438 1.018 . . . . 0.0 113.145 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.48 54.83 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 117.815 0.807 . . . . 0.0 111.222 172.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.4 m -60.44 -27.25 67.36 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.613 -0.679 . . . . 0.0 111.434 -173.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.91 -35.0 16.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 117.062 -1.447 . . . . 0.0 111.645 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -73.65 -39.66 64.3 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 121.092 1.769 . . . . 0.0 109.604 -177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -56.23 17.67 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 117.74 -1.124 . . . . 0.0 109.818 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.977 0.808 . . . . 0.0 111.665 174.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.28 -11.62 60.32 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.5 13.57 8.78 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.474 1.51 . . . . 0.0 112.852 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 64.68 10.98 6.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.521 0.728 . . . . 0.0 112.949 -177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -82.41 174.64 10.91 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 163.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' HZ ' HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -161.78 154.93 17.52 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -69.81 161.43 45.96 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.08 1.853 . . . . 0.0 113.915 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.74 179.46 7.14 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.936 160.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 HD11 ' HB2' ' A' ' 37' ' ' PRO . 9.3 tp -138.28 153.81 27.02 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.721 1.608 . . . . 0.0 110.424 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.874 HD11 HG13 ' A' ' 63' ' ' ILE . 48.3 mt -131.71 110.14 16.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.164 0 C-N-CA 126.574 1.95 . . . . 0.0 105.879 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -132.12 178.56 6.7 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.02 11.48 0.02 OUTLIER Glycine 0 C--N 1.339 0.714 0 CA-C-O 118.03 -1.428 . . . . 0.0 115.28 -165.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.76 -86.09 0.01 OUTLIER Glycine 0 C--N 1.341 0.83 0 C-N-CA 126.96 2.219 . . . . 0.0 114.021 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -56.17 -32.82 64.67 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.53 1.532 . . . . 0.0 112.558 173.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -84.86 -11.53 55.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.32 1.048 . . . . 0.0 111.749 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HB1' ' CD ' ' A' ' 37' ' ' PRO . . . 57.67 178.76 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 127.373 2.269 . . . . 0.0 112.273 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' CD ' ' HB1' ' A' ' 36' ' ' ALA . 24.8 Cg_endo -103.75 165.96 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.706 2.271 . . . . 0.0 113.502 -163.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.67 100.72 1.95 Allowed 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.323 1.049 . . . . 0.0 109.653 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -71.16 139.54 50.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 122.032 -0.418 . . . . 0.0 110.161 174.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.426 ' HB ' ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -135.68 146.4 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 C-N-CA 125.3 1.44 . . . . 0.0 107.875 178.046 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.66 115.91 31.34 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 128.589 2.756 . . . . 0.0 108.779 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 4' ' ' ILE . 2.6 pt? -134.76 169.4 17.4 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.323 0.649 . . . . 0.0 111.835 -176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.25 132.23 39.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.768 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -52.0 46.53 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.319 -0.848 . . . . 0.0 109.687 175.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -66.52 -27.39 67.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.106 0.866 . . . . 0.0 112.194 -169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -61.2 -81.81 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.42 1.088 . . . . 0.0 108.829 164.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -48.62 -28.01 2.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -172.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 tpt -48.37 -66.47 0.4 Allowed 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 125.726 1.61 . . . . 0.0 110.394 166.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -53.53 -20.55 5.09 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 172.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.421 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . 4.2 mmt -87.2 -65.37 1.02 Allowed 'General case' 0 N--CA 1.433 -1.313 0 CA-C-O 117.778 -1.106 . . . . 0.0 108.197 -173.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.1 pp0? -60.74 -8.28 2.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 121.45 1.932 . . . . 0.0 113.656 173.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 1.83 11.35 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.096 1.358 . . . . 0.0 112.216 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.78 156.78 41.92 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 120.607 1.549 . . . . 0.0 109.498 160.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.56 62.53 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.907 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.42 -18.13 48.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.948 2.099 . . . . 0.0 112.2 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 52.4 t80 -75.76 -47.16 27.07 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 122.498 1.142 . . . . 0.0 111.788 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -70.31 -37.71 74.81 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.132 -1.395 . . . . 0.0 110.249 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 t -80.94 -51.64 8.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.745 1.618 . . . . 0.0 109.93 -174.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.65 123.98 49.3 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.77 146.5 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 125.331 1.452 . . . . 0.0 111.991 -165.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 29.1 mt -106.24 152.87 22.95 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 125.869 1.668 . . . . 0.0 108.414 -176.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 m -111.99 100.65 9.05 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 118.709 0.686 . . . . 0.0 109.475 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.874 HG13 HD11 ' A' ' 30' ' ' ILE . 3.9 mm -78.37 110.54 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 O-C-N 120.985 -1.072 . . . . 0.0 108.707 176.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.455 ' HB ' HD22 ' A' ' 5' ' ' ASN . 47.3 t -93.38 82.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 -177.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 HD13 ' A' ' 70' ' ' ILE . 10.8 m -74.06 96.42 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.771 1.628 . . . . 0.0 107.784 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.2 t70 56.85 25.95 11.02 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.749 0.82 . . . . 0.0 112.448 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.54 -7.23 34.07 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.767 1.175 . . . . 0.0 114.497 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -97.49 122.85 41.02 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 119.167 1.483 . . . . 0.0 108.18 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.34 109.58 22.31 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.768 0.827 . . . . 0.0 111.114 -162.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.97 125.16 70.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -169.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -83.81 122.54 28.82 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.317 0.647 . . . . 0.0 110.74 176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HG22 ' A' ' 70' ' ' ILE . 24.9 m -152.2 161.32 3.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 O-C-N 124.464 1.103 . . . . 0.0 112.277 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HG2' ' HB2' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -143.39 143.6 31.71 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.693 -0.63 . . . . 0.0 109.79 -177.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -77.55 118.48 20.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.831 -163.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.86 -14.09 14.03 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 124.388 1.055 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -158.13 103.69 1.85 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.511 1.524 . . . . 0.0 108.102 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.818 HG12 HG23 ' A' ' 89' ' ' ILE . 17.4 m -98.41 137.35 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 161.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -107.4 109.28 20.97 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.975 1.71 . . . . 0.0 106.851 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -78.32 161.43 27.22 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.652 0.781 . . . . 0.0 109.94 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.29 159.96 77.9 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 123.143 0.577 . . . . 0.0 110.533 168.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -84.15 -27.25 1.57 Allowed 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 123.741 2.96 . . . . 0.0 113.263 -172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -144.42 7.3 1.32 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.252 1.421 . . . . 0.0 112.145 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -125.53 156.11 71.05 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.177 1.391 . . . . 0.0 109.03 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -79.52 63.17 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.818 3.012 . . . . 0.0 109.152 167.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -133.51 -176.28 4.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.698 1.199 . . . . 0.0 109.801 -175.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 HD11 ' A' ' 89' ' ' ILE . 13.1 mt -124.49 156.72 36.8 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 126.135 1.774 . . . . 0.0 108.712 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -117.16 -32.56 4.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.686 1.594 . . . . 0.0 110.089 177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -177.34 158.06 1.4 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 125.783 1.633 . . . . 0.0 109.899 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.818 HG23 HG12 ' A' ' 77' ' ' VAL . 86.9 mt -142.83 144.47 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.001 0.92 . . . . 0.0 108.606 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -120.22 134.04 55.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.276 2.23 . . . . 0.0 105.973 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -122.12 151.73 40.63 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 167.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.76 150.5 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 174.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.03 93.99 0.02 OUTLIER 'General case' 0 C--N 1.342 0.258 0 C-N-CA 125.862 1.665 . . . . 0.0 110.52 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 73' ' ' LYS . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 116.337 -1.792 . . . . 0.0 112.365 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 C3'-C2'-C1' 104.949 3.832 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.838 0 C3'-C2'-C1' 104.287 3.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.804 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 1 O4'-C1'-N19 112.541 4.341 . 0.447 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 1 O4'-C1'-N19 114.19 5.99 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.89 0 C3'-C2'-C1' 104.474 3.304 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.912 3 P-O3'-C3' 124.892 4.326 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.561 1 O4'-C1'-N19 112.757 4.557 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 C4'-C3'-C2' 97.914 -4.786 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.444 1 N19-C1'-C2' 106.994 -4.004 . 0.353 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 2 O4'-C1'-N19 113.304 5.104 . 0.255 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 O4'-C1'-N19 111.338 3.138 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 110.729 2.529 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 1 O4'-C1'-N19 113.789 5.589 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C5'-C4'-C3' 109.703 -3.864 . 0.036 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 O4'-C1'-N19 112.31 4.11 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 1 O4'-C1'-N19 112.484 4.284 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 O4'-C1'-N19 111.043 2.843 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.852 3.652 . 0.709 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 C5'-C4'-C3' 109.23 -4.18 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 N19-C1'-C2' 120.299 4.312 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 O4'-C1'-N19 111.665 3.465 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 O4'-C1'-N19 112.146 3.946 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 1 O4'-C1'-N19 112.834 4.634 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.836 0 O4'-C1'-N19 111.711 3.511 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.599 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.77 1 O4'-C1'-N19 113.488 5.288 . 0.725 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C5'-C4'-O4' 113.061 2.758 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 O4'-C1'-N19 114.815 6.615 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 O4'-C1'-N19 113.582 5.382 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.694 0 O4'-C1'-N19 110.845 2.645 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.79 1 O4'-C1'-N19 112.249 4.049 . 0.396 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.298 4.098 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C4'-C3'-C2' 99.386 -3.314 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 110.697 2.497 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 C4'-C3'-C2' 100.088 -2.612 . 0.604 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 1 O4'-C1'-N19 112.277 4.077 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 O4'-C1'-N19 111.46 3.26 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ptm . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -50.35 -60.35 3.07 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.788 1.235 . . . . 0.0 110.767 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 HG23 ' HB ' ' A' ' 62' ' ' THR . 3.7 m 65.43 120.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.116 2.566 . . . . 0.0 113.82 168.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.514 HD11 HD22 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -115.36 79.1 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 C-N-CA 123.891 0.876 . . . . 0.0 109.29 -165.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.416 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER -59.75 123.95 18.58 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -174.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -132.95 -166.2 1.72 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.045 1.338 . . . . 0.0 110.162 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -154.83 109.14 2.96 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.472 1.509 . . . . 0.0 109.775 -168.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.49 HG13 ' HB ' ' A' ' 65' ' ' VAL . 33.7 m -55.3 112.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.171 0.51 . . . . 0.0 110.489 -177.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' O ' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -127.07 139.14 53.21 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.197 -171.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 9.9 mmpt? -126.31 3.27 7.04 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.86 0.725 . . . . 0.0 112.919 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -75.74 16.61 0.37 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.876 2.07 . . . . 0.0 112.915 -174.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -69.05 0.15 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 126.129 1.772 . . . . 0.0 113.56 -158.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 10.04 -76.01 0.0 OUTLIER Glycine 0 C--N 1.342 0.912 1 C-N-CA 131.185 4.231 . . . . 0.0 115.541 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -155.69 -17.87 0.11 Allowed 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.519 -0.989 . . . . 0.0 110.125 159.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.86 -42.82 80.75 Favored Glycine 0 C--N 1.346 1.127 0 C-N-CA 126.317 1.913 . . . . 0.0 112.799 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -62.84 -50.29 71.54 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.054 1.427 . . . . 0.0 110.222 173.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.1 m -62.61 -16.48 56.8 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.454 0.702 . . . . 0.0 112.584 -170.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -28.53 12.91 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.146 -1.407 . . . . 0.0 113.689 177.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -71.62 -37.18 70.93 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.038 1.744 . . . . 0.0 109.567 172.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -66.23 -58.13 6.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.544 1.138 . . . . 0.0 109.682 178.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -58.92 -28.71 66.47 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 118.594 0.634 . . . . 0.0 111.98 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.89 -23.04 63.19 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.7 16.45 17.46 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.824 1.249 . . . . 0.0 111.984 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 64.95 11.89 7.4 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.533 0.733 . . . . 0.0 112.824 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.4 mtmm -85.26 175.06 9.15 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 167.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -160.44 152.06 16.41 Favored Pre-proline 0 CA--C 1.547 0.847 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.82 159.3 48.64 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.464 1.443 . . . . 0.0 113.159 -169.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.51 177.44 8.85 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.34 1.056 . . . . 0.0 110.568 164.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.614 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.8 tp -134.85 156.14 39.42 Favored 'Isoleucine or valine' 0 C--N 1.34 0.157 0 C-N-CA 124.756 1.223 . . . . 0.0 109.397 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 HD11 HG13 ' A' ' 63' ' ' ILE . 68.1 mt -125.3 80.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 104.442 -2.429 . . . . 0.0 104.442 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -88.82 -176.03 5.08 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.302 0.376 . . . . 0.0 110.423 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.57 4.28 0.05 OUTLIER Glycine 0 C--N 1.337 0.608 0 CA-C-O 117.205 -1.886 . . . . 0.0 116.463 -173.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 34.38 60.49 0.6 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.659 2.076 . . . . 0.0 114.046 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -147.27 -49.74 0.18 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.065 0.946 . . . . 0.0 111.152 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -130.97 13.87 5.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.236 1.415 . . . . 0.0 112.139 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.44 152.84 0.12 Allowed Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 127.881 2.472 . . . . 0.0 111.719 -165.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.614 ' HB2' HD11 ' A' ' 29' ' ' ILE . 23.4 Cg_exo -59.91 -179.75 0.24 Allowed 'Trans proline' 0 N--CA 1.451 -1.012 0 C-N-CA 124.232 3.288 . . . . 0.0 117.228 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.05 103.65 3.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . -69.34 138.29 53.61 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.532 HD11 HG13 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -142.77 141.04 27.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 -178.402 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 3.1 tt0 -104.1 111.19 23.67 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 126.07 1.748 . . . . 0.0 107.578 -168.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -129.19 166.1 20.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.605 0.762 . . . . 0.0 112.511 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.69 132.73 45.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.957 0.903 . . . . 0.0 109.491 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -70.62 -50.71 34.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.923 -0.561 . . . . 0.0 109.935 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -67.09 -28.41 68.16 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.5 0.591 . . . . 0.0 111.335 -172.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 50' ' ' MET . 19.6 ttmm -59.94 -78.28 0.03 OUTLIER 'General case' 0 C--N 1.347 0.466 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 163.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.1 p -54.18 -26.97 16.03 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -167.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.18 -63.24 1.16 Allowed 'General case' 0 C--O 1.219 -0.523 0 C-N-CA 126.147 1.779 . . . . 0.0 109.653 169.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -56.64 -21.87 30.28 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.704 1.138 . . . . 0.0 113.867 173.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.438 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 7.1 mmm -85.18 -65.88 0.96 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 117.554 -1.212 . . . . 0.0 108.458 -171.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.17 -8.49 3.61 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 121.104 1.774 . . . . 0.0 113.885 174.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -1.04 17.73 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 125.792 1.637 . . . . 0.0 112.256 171.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 157.5 37.16 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.574 1.533 . . . . 0.0 109.94 159.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.76 -21.68 60.1 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -57.25 -20.28 26.62 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.437 1.895 . . . . 0.0 111.273 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 76.1 t80 -68.33 -56.09 9.77 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.907 -1.121 . . . . 0.0 111.697 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -77.36 -28.24 52.88 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.0 -1.454 . . . . 0.0 110.607 -172.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.2 t -76.54 -50.23 14.45 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.844 1.258 . . . . 0.0 110.211 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.78 103.43 12.51 Favored 'General case' 0 C--N 1.344 0.336 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -161.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 ' HD2' ' A' ' 71' ' ' LYS . 7.7 p -40.53 124.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 128.074 2.55 . . . . 0.0 113.323 -170.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.514 HD22 HD11 ' A' ' 4' ' ' ILE . 63.6 mt -88.8 151.75 22.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.797 1.239 . . . . 0.0 107.712 -171.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.415 ' HB ' HG23 ' A' ' 3' ' ' THR . 4.4 m -109.76 99.33 8.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.1 108.86 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.7 t -91.01 82.8 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' HB ' HG13 ' A' ' 8' ' ' VAL . 3.2 m -75.87 97.75 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 C-N-CA 126.423 1.889 . . . . 0.0 106.234 -174.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 57.21 23.88 9.19 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.523 0.729 . . . . 0.0 112.265 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.94 -10.35 29.56 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-O 118.771 -1.016 . . . . 0.0 114.673 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -97.93 128.94 44.83 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 119.047 1.423 . . . . 0.0 109.108 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -97.59 110.81 23.3 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.503 0.721 . . . . 0.0 111.518 -163.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.49 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -115.7 128.97 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -170.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HD2' HG22 ' A' ' 60' ' ' VAL . 4.6 mmtm -88.75 126.04 35.15 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.19 0.996 . . . . 0.0 110.775 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG13 HG22 ' A' ' 70' ' ' ILE . 26.3 m -152.49 161.11 2.95 Favored 'Isoleucine or valine' 0 C--N 1.343 0.297 0 C-N-CA 125.786 1.635 . . . . 0.0 111.088 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -133.26 134.06 43.45 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 123.625 0.77 . . . . 0.0 109.525 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 139.86 57.26 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.001 0.813 . . . . 0.0 111.349 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -118.17 -43.24 2.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.966 0.906 . . . . 0.0 110.448 172.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -146.75 105.74 3.87 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.636 HG12 HG23 ' A' ' 89' ' ' ILE . 35.4 m -89.96 143.78 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 161.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -114.06 114.49 26.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt85 -79.08 162.17 26.04 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.213 0.53 . . . . 0.0 110.092 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.34 160.62 70.55 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 123.79 0.836 . . . . 0.0 110.58 170.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.28 -7.7 9.91 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.291 2.661 . . . . 0.0 113.333 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -143.48 -57.46 0.4 Allowed 'General case' 0 C--N 1.348 0.513 0 CA-C-N 119.617 1.099 . . . . 0.0 111.039 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 14.7 ptmt -78.63 158.0 76.41 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.228 1.811 . . . . 0.0 109.766 174.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.54 16.18 1.11 Allowed 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.694 2.93 . . . . 0.0 114.347 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.86 -169.76 0.5 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.381 1.472 . . . . 0.0 111.566 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 89' ' ' ILE . 10.9 mt -121.57 155.25 35.43 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 126.875 2.07 . . . . 0.0 108.776 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -105.0 -37.3 7.01 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.931 1.692 . . . . 0.0 110.155 172.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -178.5 157.74 1.02 Allowed 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 125.872 1.669 . . . . 0.0 108.934 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG12 ' A' ' 77' ' ' VAL . 81.9 mt -144.48 148.22 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -122.38 154.21 38.0 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.599 0.76 . . . . 0.0 109.128 168.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.99 148.02 50.91 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 171.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.26 144.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -56.53 99.66 0.04 OUTLIER 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.425 1.49 . . . . 0.0 110.089 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.252 1.229 0 CA-C-O 117.025 -1.464 . . . . 0.0 111.271 168.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 100.407 -2.293 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 2 O4'-C1'-N19 114.363 6.163 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 O5'-C5'-C4' 114.924 3.375 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 1 O4'-C1'-N19 112.888 4.688 . 0.677 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 1 O4'-C1'-N19 114.833 6.633 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 112.515 2.368 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C5'-C4'-C3' 111.506 -2.663 . 0.538 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.477 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.413 -3.308 1 O4'-C1'-N19 113.075 4.875 . 0.151 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 P-O3'-C3' 123.704 3.337 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . 0.508 " H2'" ' C6 ' ' B' ' 277' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.649 0 C4'-C3'-C2' 99.67 -3.03 . 0.466 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . 0.508 ' C6 ' " H2'" ' B' ' 276' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 2 O4'-C1'-N19 112.853 4.653 . 0.721 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 O4'-C1'-N19 111.634 3.434 . 0.687 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.982 3.782 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.565 1 O4'-C1'-N19 115.506 7.306 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.535 0 P-O3'-C3' 123.636 3.28 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 111.808 3.608 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 1 O4'-C1'-N19 112.811 4.611 . 0.559 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.504 1 O4'-C1'-N19 114.038 5.838 . 0.102 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.057 1 O5'-C5'-C4' 116.465 4.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.921 2 O4'-C1'-N19 115.442 7.242 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 2 P-O3'-C3' 126.486 5.655 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 1 O4'-C1'-N19 114.847 6.647 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 O4'-C1'-N19 111.499 3.299 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 O4'-C1'-N19 113.512 5.312 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O5'-C5'-C4' 113.676 2.483 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 1 O4'-C1'-N19 113.548 5.348 . 0.385 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.869 0 C5'-C4'-O4' 113.232 2.88 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.508 3.308 . 0.231 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O4'-C1'-N19 111.693 3.493 . 0.082 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 1 O4'-C1'-N19 112.268 4.068 . 0.517 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 1 O4'-C1'-N19 112.435 4.235 . 0.355 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 1 O4'-C1'-N19 113.292 5.092 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 C4'-C3'-C2' 99.416 -3.284 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.439 0 O4'-C1'-N19 111.675 3.475 . 0.278 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.604 3.404 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.491 1 O4'-C1'-N19 113.924 5.724 OUTLIER-EPSILON 0.615 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.409 -3.673 2 P-O3'-C3' 126.439 5.616 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptm . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 58.43 -83.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.015 1.326 . . . . 0.0 108.44 -157.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.6 m 67.46 103.77 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 129.168 2.987 . . . . 0.0 112.073 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.72 82.23 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -166.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.04 115.32 3.36 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.421 ' HB1' ' HB ' ' A' ' 40' ' ' ILE . . . -121.64 -161.87 0.94 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.926 1.69 . . . . 0.0 108.095 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -159.1 139.72 12.47 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 126.777 2.031 . . . . 0.0 106.217 169.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.12 141.8 17.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 123.394 0.678 . . . . 0.0 111.976 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.89 149.57 35.55 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 175.271 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.6 mmpt? -131.21 -5.72 3.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.264 1.825 . . . . 0.0 113.52 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.7 pm0 -69.92 15.54 0.08 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.271 2.628 . . . . 0.0 114.943 176.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -32.97 17.72 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 -169.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.74 -3.92 0.02 OUTLIER Glycine 0 CA--C 1.546 1.992 0 C-N-CA 128.396 2.903 . . . . 0.0 118.648 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 136.41 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 1 C-N-CA 134.809 5.244 . . . . 0.0 110.451 166.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.51 -46.4 92.04 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.285 0.948 . . . . 0.0 112.571 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -64.48 -43.55 93.82 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 121.989 0.9 . . . . 0.0 109.889 172.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.4 -27.37 67.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.727 0.811 . . . . 0.0 111.308 -167.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -43.45 12.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 116.498 -1.715 . . . . 0.0 111.419 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -62.24 -35.6 79.45 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 121.563 1.983 . . . . 0.0 111.577 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.87 -59.06 3.01 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.034 -175.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -65.11 -18.56 65.4 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.074 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.31 60.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 171.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.31 19.21 11.43 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 125.526 1.53 . . . . 0.0 112.118 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 66.84 6.21 4.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.143 0.977 . . . . 0.0 113.44 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -84.47 176.87 8.37 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.535 1.134 . . . . 0.0 108.577 166.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.8 p90 -159.66 152.43 17.96 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 176.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -73.2 155.75 51.64 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.888 1.725 . . . . 0.0 112.07 -173.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.55 179.94 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.343 1.057 . . . . 0.0 110.676 163.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 37' ' ' PRO . 10.1 tp -139.0 156.8 28.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 C-N-CA 124.64 1.176 . . . . 0.0 109.928 174.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.803 HD11 HG13 ' A' ' 63' ' ' ILE . 49.1 mt -126.22 88.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 104.914 -2.254 . . . . 0.0 104.914 178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 174.34 6.0 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -172.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.74 103.2 0.66 Allowed Glycine 0 N--CA 1.449 -0.444 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -158.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.84 58.8 1.74 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.858 1.218 . . . . 0.0 111.699 176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -138.45 -48.46 0.53 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 130.464 3.506 . . . . 0.0 109.306 -169.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -114.01 -6.67 13.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.328 1.451 . . . . 0.0 112.119 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.84 151.94 0.12 Allowed Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 126.868 2.067 . . . . 0.0 109.273 -158.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.613 ' HB2' HD11 ' A' ' 29' ' ' ILE . 80.0 Cg_exo -72.2 176.9 7.89 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 N-CA-C 115.153 1.174 . . . . 0.0 115.153 -167.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -146.8 101.63 3.46 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.613 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.56 135.36 45.57 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.437 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -138.42 132.58 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.894 1.677 . . . . 0.0 107.626 -174.294 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.62 118.84 23.6 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 127.993 2.517 . . . . 0.0 108.614 172.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.99 166.33 23.91 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.793 0.806 . . . . 0.0 110.881 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.38 131.99 39.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.374 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -62.86 -49.52 74.55 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 123.595 0.758 . . . . 0.0 109.67 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.56 -36.49 82.84 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.53 0.604 . . . . 0.0 111.845 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -74.28 0.07 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 170.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.7 p -58.87 -26.4 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -169.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -61.07 2.38 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.524 1.53 . . . . 0.0 108.109 171.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -57.42 -23.84 51.93 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 119.687 1.131 . . . . 0.0 113.972 173.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.7 mmt -81.01 -68.79 0.66 Allowed 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 119.073 0.851 . . . . 0.0 109.758 -174.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . 1.3 pp0? -61.82 -7.03 3.12 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.758 1.163 . . . . 0.0 113.583 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.35 -3.96 23.55 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 125.035 1.334 . . . . 0.0 112.613 172.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.32 159.21 33.78 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.38 1.446 . . . . 0.0 110.831 163.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.95 60.73 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.11 -20.89 28.31 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 125.281 1.432 . . . . 0.0 111.783 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 51' ' ' GLN . 75.4 t80 -71.51 -51.87 21.32 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 121.191 -0.943 . . . . 0.0 112.179 179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -81.7 -29.05 33.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.674 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 t -85.22 -22.89 28.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.707 1.203 . . . . 0.0 111.847 -178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 127.61 34.62 Favored 'General case' 0 C--N 1.343 0.309 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -175.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.04 145.47 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 126.001 1.72 . . . . 0.0 112.931 -173.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD11 ' CE2' ' A' ' 56' ' ' PHE . 19.7 mt -113.02 157.09 21.97 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 107.831 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.3 m -110.27 99.56 8.59 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 30' ' ' ILE . 4.9 mm -74.77 111.35 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 O-C-N 120.864 -1.148 . . . . 0.0 108.562 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.4 84.65 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 18.6 m -75.5 99.94 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.271 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 55.78 30.29 15.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 118.267 0.485 . . . . 0.0 111.803 177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.0 -1.12 57.66 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.628 -1.095 . . . . 0.0 114.71 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HE3' ' O ' ' A' ' 65' ' ' VAL . 6.1 mtmt -102.35 124.99 48.9 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.226 1.513 . . . . 0.0 108.03 179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.84 107.38 18.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.276 0.63 . . . . 0.0 111.198 -158.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.467 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.32 130.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -169.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 13.2 mmtm -84.54 127.92 34.31 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 123.734 0.814 . . . . 0.0 111.191 173.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 HG22 ' A' ' 70' ' ' ILE . 31.3 m -154.21 164.49 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 125.144 1.378 . . . . 0.0 112.7 174.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.56 137.72 21.76 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.18 154.65 19.17 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -165.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -129.99 -34.58 1.68 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 165.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.44 93.4 2.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.676 HG12 HG23 ' A' ' 89' ' ' ILE . 32.7 m -84.71 140.23 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 158.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -119.03 110.77 17.49 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.014 2.126 . . . . 0.0 105.805 -175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.1 mmt85 -77.31 165.25 24.71 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.359 0.664 . . . . 0.0 109.589 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 156.32 39.25 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 164.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -80.99 -16.13 10.12 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.453 2.768 . . . . 0.0 112.964 -169.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -148.59 5.35 0.7 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.783 1.233 . . . . 0.0 112.227 -177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -133.86 158.76 74.68 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 125.408 1.483 . . . . 0.0 108.748 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.08 16.09 0.7 Allowed 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 123.798 2.999 . . . . 0.0 113.498 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -83.83 -170.78 3.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.544 1.538 . . . . 0.0 110.709 -174.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 89' ' ' ILE . 22.0 mt -119.01 163.69 16.58 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.532 1.933 . . . . 0.0 109.874 173.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -126.07 -35.2 2.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 127.678 2.391 . . . . 0.0 110.603 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -171.63 157.42 4.7 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 124.847 1.259 . . . . 0.0 109.884 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.676 HG23 HG12 ' A' ' 77' ' ' VAL . 87.9 mt -145.54 148.96 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -125.34 160.88 28.26 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.397 0.679 . . . . 0.0 109.783 165.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.38 142.56 43.75 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.27 148.58 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 119.609 1.095 . . . . 0.0 108.608 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -57.54 94.44 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.858 2.063 . . . . 0.0 109.847 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.847 -1.073 . . . . 0.0 111.867 176.727 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-C2' 101.712 -3.349 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 1 P-O3'-C3' 124.602 4.085 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.883 0 O4'-C1'-N19 110.815 2.615 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 O4'-C1'-N19 113.024 4.824 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 1 O4'-C1'-N19 114.788 6.588 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-O4' 112.372 2.266 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.303 1 O4'-C1'-N19 114.001 5.801 . 0.0 OUTLIER '7D dist 7a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 2 C5'-C4'-C3' 107.882 -5.079 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.464 1 C4'-C3'-C2' 98.486 -4.214 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.994 0 C3'-C2'-C1' 104.215 3.017 . 0.468 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 2 P-O3'-C3' 125.591 4.909 . 0.826 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.29 -3.41 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.833 0 O4'-C1'-N19 111.332 3.132 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 1 O4'-C1'-N19 114.837 6.637 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.839 2 P-O3'-C3' 125.439 4.783 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 O4'-C1'-N19 112.159 3.959 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 1 O4'-C1'-N19 113.29 5.09 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.442 1 O4'-C1'-N19 112.232 4.032 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.321 3 C5'-C4'-C3' 108.567 -4.622 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.413 1 O4'-C1'-N19 112.952 4.752 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.177 3 P-O3'-C3' 127.597 6.581 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 113.315 5.115 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.525 3.325 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.045 1 O4'-C1'-N19 115.097 6.897 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 111.138 -2.908 . 0.129 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 O4'-C1'-N19 113.527 5.327 . 0.036 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C5'-C4'-O4' 113.34 2.957 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 O4'-C1'-N19 111.934 3.734 OUTLIER-DELTA 0.084 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.646 3.446 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 P-O3'-C3' 124.623 4.102 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.895 0 O4'-C1'-N19 111.909 3.709 . 0.287 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 1 O4'-C1'-N19 112.485 4.285 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . 0.413 ' C2 ' " H1'" ' B' ' 305' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 C4'-C3'-C2' 98.726 -3.974 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . 0.413 " H1'" ' C2 ' ' B' ' 304' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.984 1 O4'-C1'-N19 114.07 5.87 . 0.195 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 111.906 3.706 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 1 O4'-C1'-N19 112.587 4.387 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 tpt . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.589 -0.719 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -41.72 -71.01 0.09 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.547 1.939 . . . . 0.0 112.221 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.423 HG23 ' HB ' ' A' ' 62' ' ' THR . 2.6 m 60.55 96.68 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.263 2.225 . . . . 0.0 114.329 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.443 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -99.15 85.25 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -171.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.72 117.23 5.11 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -122.32 -161.69 0.95 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.606 1.563 . . . . 0.0 108.008 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -158.58 143.02 15.87 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 126.677 1.991 . . . . 0.0 106.243 165.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.6 m -64.97 131.95 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 123.285 0.634 . . . . 0.0 110.898 -175.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.457 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -128.55 143.09 50.9 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.723 178.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? -133.72 -0.21 3.19 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.826 1.25 . . . . 0.0 113.88 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -71.95 12.49 0.4 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.473 2.309 . . . . 0.0 114.999 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -26.25 24.66 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -175.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -34.83 -27.67 0.01 OUTLIER Glycine 0 CA--C 1.542 1.722 0 C-N-CA 127.343 2.401 . . . . 0.0 116.121 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 1.1 tmtm? 168.36 -36.8 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 1 C-N-CA 131.706 4.003 . . . . 0.0 109.17 158.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.37 -41.93 41.34 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.709 1.623 . . . . 0.0 113.494 -174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.49 70.33 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 118.01 0.905 . . . . 0.0 110.658 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.6 m -65.3 -16.13 63.25 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.507 -174.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.78 -19.35 16.76 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-O 117.026 -1.464 . . . . 0.0 113.733 175.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -77.61 -34.39 53.4 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.874 1.67 . . . . 0.0 110.283 164.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -67.12 -57.96 5.8 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -31.09 67.28 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.972 172.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -12.72 61.72 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.94 17.57 7.28 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.682 1.193 . . . . 0.0 112.806 -175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 64.65 12.94 7.96 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.285 0.634 . . . . 0.0 112.529 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -90.78 173.62 7.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.659 1.583 . . . . 0.0 108.536 170.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.4 p90 -152.47 155.76 33.03 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 172.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -70.95 158.58 55.02 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.26 1.973 . . . . 0.0 113.089 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.91 8.01 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.258 1.023 . . . . 0.0 110.473 162.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -136.27 159.61 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 124.963 1.305 . . . . 0.0 109.805 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.581 HD11 HG13 ' A' ' 63' ' ' ILE . 63.1 mt -129.46 91.35 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 176.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.94 -172.9 2.13 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 112.139 -175.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.26 81.98 0.42 Allowed Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.056 159.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.48 -95.7 0.11 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 109.764 -1.335 . . . . 0.0 109.764 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -168.32 -7.9 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.587 1.555 . . . . 0.0 113.335 -172.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -125.27 6.11 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 112.833 -159.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 73.45 161.37 0.16 Allowed Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 127.248 2.219 . . . . 0.0 111.239 -164.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 1.9 Cg_endo -97.91 -166.39 0.09 OUTLIER 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.884 3.722 . . . . 0.0 112.283 -163.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.43 105.87 2.3 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 122.722 0.409 . . . . 0.0 110.213 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -81.2 136.98 35.9 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -142.51 122.63 10.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.37 1.468 . . . . 0.0 109.101 -168.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -74.38 120.09 19.47 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 131.011 3.724 . . . . 0.0 108.685 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.18 166.34 24.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.822 0.82 . . . . 0.0 112.383 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.06 132.0 40.98 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.473 -1.24 . . . . 0.0 110.232 -177.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -66.18 -47.64 73.32 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 124.099 0.874 . . . . 0.0 109.5 174.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.87 -34.54 78.38 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.073 0.851 . . . . 0.0 111.675 -173.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.69 -77.46 0.03 OUTLIER 'General case' 0 C--N 1.345 0.381 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 3.1 p -56.95 -26.09 23.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -167.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -48.4 -64.21 0.86 Allowed 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 125.796 1.638 . . . . 0.0 108.694 170.402 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -57.79 -22.16 45.82 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 174.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.481 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.6 mmt -82.74 -70.96 0.51 Allowed 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.375 -1.342 . . . . 0.0 107.375 -175.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.586 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -61.26 -7.46 2.87 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 177.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 48' ' ' MET . . . -62.26 -16.85 56.3 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-O 117.719 -1.134 . . . . 0.0 112.14 175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 155.13 48.93 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.256 0.935 . . . . 0.0 112.976 -173.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.6 74.0 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.512 -167.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.8 -48.03 80.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 124.336 1.054 . . . . 0.0 108.178 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD1' ' HA ' ' A' ' 51' ' ' GLN . 2.9 t80 -50.81 -45.55 59.4 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 119.857 1.208 . . . . 0.0 111.325 177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -36.14 73.76 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 118.332 -1.347 . . . . 0.0 111.797 -175.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -86.28 -12.69 48.82 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.849 1.259 . . . . 0.0 112.633 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -131.54 122.96 27.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -165.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -46.67 142.18 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.307 1.043 . . . . 0.0 112.651 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 56' ' ' PHE . 5.4 mt -116.94 161.36 19.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.415 1.486 . . . . 0.0 107.919 177.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.423 ' HB ' HG23 ' A' ' 3' ' ' THR . 11.9 m -115.66 97.47 6.15 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.975 0.807 . . . . 0.0 109.197 -173.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.581 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -76.06 105.09 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.7 t -90.14 84.62 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 40' ' ' ILE . 4.4 m -76.72 97.41 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 126.243 1.817 . . . . 0.0 106.938 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 57.41 25.98 11.99 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.336 0.654 . . . . 0.0 112.419 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.0 -3.76 35.7 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.857 1.218 . . . . 0.0 114.559 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -103.37 126.11 50.35 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 119.234 1.517 . . . . 0.0 108.501 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -100.23 109.05 21.28 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.076 0.55 . . . . 0.0 110.87 -159.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.522 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.94 128.06 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -171.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 11.6 mmtm -86.16 129.6 34.79 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.191 0.996 . . . . 0.0 111.016 173.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.535 ' HA ' ' H ' ' A' ' 94' ' ' ALA . 19.1 m -153.06 160.94 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 126.582 1.953 . . . . 0.0 110.765 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.19 134.33 47.96 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 119.022 0.828 . . . . 0.0 109.129 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -58.62 132.86 55.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.388 0.675 . . . . 0.0 111.139 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -128.98 -24.13 2.96 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 124.101 0.876 . . . . 0.0 111.387 -170.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -161.16 103.15 1.27 Allowed 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 106.27 -1.752 . . . . 0.0 106.27 171.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.799 HG12 HG23 ' A' ' 89' ' ' ILE . 18.4 m -91.83 133.8 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 163.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -107.5 102.85 12.08 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -68.39 162.3 25.68 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.095 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.99 158.68 85.76 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 122.664 0.385 . . . . 0.0 110.978 170.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.68 -24.57 4.14 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.569 2.846 . . . . 0.0 112.997 -173.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -148.64 12.07 0.89 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -126.43 157.02 71.91 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 124.98 1.312 . . . . 0.0 108.78 174.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -78.73 61.96 8.19 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.719 2.946 . . . . 0.0 109.123 166.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -133.78 -173.04 3.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.761 1.224 . . . . 0.0 109.255 -175.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 89' ' ' ILE . 22.2 mt -131.0 127.5 38.47 Favored 'General case' 0 C--N 1.338 0.077 0 C-N-CA 125.727 1.611 . . . . 0.0 108.638 -174.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -74.03 -41.12 62.3 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.79 1.236 . . . . 0.0 110.006 169.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 177.41 159.7 0.42 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 125.851 1.66 . . . . 0.0 108.465 -165.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.799 HG23 HG12 ' A' ' 77' ' ' VAL . 89.4 mt -145.46 145.02 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.923 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -122.44 148.75 44.74 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 167.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.42 158.44 27.19 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.31 142.74 34.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 117.989 0.359 . . . . 0.0 110.087 175.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -52.63 93.9 0.01 OUTLIER 'General case' 0 C--N 1.342 0.248 0 C-N-CA 127.027 2.131 . . . . 0.0 111.153 -167.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.535 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 116.519 -1.705 . . . . 0.0 111.625 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-C2' 102.371 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 P-O3'-C3' 122.834 2.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 P-O3'-C3' 122.878 2.649 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 1 O4'-C1'-N19 112.584 4.384 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 1 O4'-C1'-N19 114.543 6.343 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.872 0 C5'-C4'-O4' 112.592 2.423 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 C5'-C4'-C3' 111.725 -2.517 . 0.66 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.504 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.493 1 O4'-C1'-N19 113.303 5.103 . 0.251 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 C4'-C3'-C2' 97.505 -5.195 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.572 0 N19-C1'-C2' 107.343 -3.786 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 2 O4'-C1'-N19 113.217 5.017 . 0.319 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 O4'-C1'-N19 111.125 2.925 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 O4'-C1'-N19 111.081 2.881 . 0.508 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 1 O4'-C1'-N19 113.771 5.571 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 C5'-C4'-C3' 111.045 -2.97 . 0.05 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 1 O4'-C1'-N19 112.387 4.187 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 O4'-C1'-N19 112.082 3.882 . 0.557 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.108 2 P-O3'-C3' 126.19 5.409 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 2 C5'-C4'-C3' 107.678 -5.215 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.026 2 O4'-C1'-N19 113.979 5.779 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.367 4 C3'-C2'-C1' 105.759 4.732 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C4'-C3'-C2' 99.923 -2.777 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 0 O4'-C1'-N19 112.055 3.855 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 1 O4'-C1'-N19 114.137 5.937 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.607 0 P-O3'-C3' 122.645 2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.479 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.754 1 O4'-C1'-N19 113.14 4.94 . 0.488 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C5'-C4'-O4' 113.166 2.833 . 0.556 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 O4'-C1'-N19 111.451 3.251 . 0.56 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 O4'-C1'-N19 111.747 3.547 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O4'-C1'-N19 112.017 3.817 . 0.492 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 1 O4'-C1'-N19 113.193 4.993 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.999 1 O4'-C1'-N19 112.506 4.306 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 112.068 3.868 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.881 1 O4'-C1'-N19 113.033 4.833 . 0.234 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 110.533 2.333 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.992 1 O4'-C1'-N19 112.691 4.491 . 0.721 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.74 3.54 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 14.6 ptm . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.897 0.38 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 60.68 -77.66 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.413 1.485 . . . . 0.0 108.814 -159.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 62' ' ' THR . 24.1 m 59.63 97.48 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.501 2.721 . . . . 0.0 112.912 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.413 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -101.6 89.12 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -165.607 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.25 116.38 5.95 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -172.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.86 -161.18 0.85 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.458 1.503 . . . . 0.0 108.003 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -153.78 144.19 22.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 164.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.02 144.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.618 -0.677 . . . . 0.0 110.401 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -139.81 156.1 46.92 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.289 173.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -137.84 -4.81 1.75 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.49 1.516 . . . . 0.0 113.191 167.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 16' ' ' ALA . 1.3 pm0 -66.96 15.74 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 128.564 2.745 . . . . 0.0 114.996 175.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -44.28 22.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 117.453 -1.26 . . . . 0.0 113.371 -173.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -19.99 -64.37 0.01 OUTLIER Glycine 0 C--N 1.343 0.946 0 C-N-CA 128.163 2.792 . . . . 0.0 112.844 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -159.74 -17.96 0.06 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.66 -0.686 . . . . 0.0 112.401 158.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.19 -43.97 97.89 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 124.818 1.199 . . . . 0.0 112.492 -177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . . . -67.13 -44.45 79.81 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 173.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.5 m -62.73 -27.36 69.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.993 0.517 . . . . 0.0 111.927 -170.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.5 -39.18 15.39 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 116.294 -1.812 . . . . 0.0 111.387 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -64.28 -33.94 76.97 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.635 2.016 . . . . 0.0 110.713 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.41 -65.98 0.61 Allowed 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.605 1.162 . . . . 0.0 108.121 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -61.11 -26.91 68.0 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.877 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.86 -21.21 64.28 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.46 18.71 12.81 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.936 1.295 . . . . 0.0 112.031 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 65.0 11.55 7.18 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.549 0.739 . . . . 0.0 112.918 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 11.8 mtmm -84.29 172.75 11.55 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 166.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CZ ' HD12 ' A' ' 89' ' ' ILE . 1.3 p90 -152.5 154.82 32.3 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -70.14 154.89 65.83 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.054 1.836 . . . . 0.0 113.342 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.75 -179.04 5.96 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.922 0.889 . . . . 0.0 110.743 162.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tp -138.25 157.16 31.23 Favored 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 124.746 1.218 . . . . 0.0 110.159 172.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 63' ' ' ILE . 45.2 mt -127.77 100.08 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 -176.51 3.55 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -162.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' HA3' " O2'" ' B' ' 304' ' ' ' A' . . . 77.03 32.42 49.2 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.011 -1.09 . . . . 0.0 112.779 164.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.76 -97.4 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 tmmt? -178.14 -31.49 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 127.28 2.232 . . . . 0.0 109.317 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -86.98 -56.89 3.18 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.431 1.493 . . . . 0.0 109.834 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 171.44 164.13 0.23 Allowed Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 128.56 2.744 . . . . 0.0 108.567 -168.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 4.3 Cg_endo -94.84 -166.04 0.12 Allowed 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 124.907 3.738 . . . . 0.0 112.168 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.49 102.05 2.22 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.315 1.046 . . . . 0.0 110.06 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.77 139.41 47.07 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.481 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -136.52 140.05 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 -177.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.518 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 6.2 tt0 -93.55 108.39 20.1 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 129.648 3.179 . . . . 0.0 107.293 178.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -130.48 164.73 24.18 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.586 0.707 . . . . 0.0 111.878 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -75.62 136.23 40.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.598 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -72.59 -50.76 23.21 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.485 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -22.91 61.36 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.718 0.69 . . . . 0.0 111.577 -170.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -56.78 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.34 0.182 0 C-N-CA 126.09 1.756 . . . . 0.0 107.82 159.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -56.79 -26.57 24.24 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 tpt -50.13 -62.5 1.54 Allowed 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 126.132 1.773 . . . . 0.0 108.885 170.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -57.12 -21.24 30.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.353 0.979 . . . . 0.0 113.592 174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -82.99 -68.72 0.68 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 118.468 -0.777 . . . . 0.0 108.907 -174.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.518 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -61.76 -6.96 2.98 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.517 1.053 . . . . 0.0 113.759 176.212 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.85 -3.55 22.95 Favored 'General case' 0 N--CA 1.433 -1.319 0 C-N-CA 125.477 1.511 . . . . 0.0 112.54 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 158.53 34.05 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.379 1.445 . . . . 0.0 110.166 163.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.1 -22.23 60.6 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -57.03 -21.87 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.652 1.581 . . . . 0.0 111.636 171.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 54.8 t80 -69.53 -51.5 35.05 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 121.21 -0.931 . . . . 0.0 112.248 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -82.19 -30.15 31.06 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.685 -174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -83.49 -21.88 32.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.602 1.161 . . . . 0.0 111.754 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.44 127.66 33.82 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -174.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.9 p -52.35 145.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.426 1.491 . . . . 0.0 112.243 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.418 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 9.2 mt -113.26 164.11 13.96 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.955 1.702 . . . . 0.0 107.919 -179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.452 ' HB ' HG23 ' A' ' 3' ' ' THR . 3.8 m -118.34 98.22 6.17 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.179 0.445 . . . . 0.0 110.822 -178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 30' ' ' ILE . 3.7 mm -74.17 105.98 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.765 HG22 ' HG2' ' A' ' 69' ' ' GLU . 39.4 t -84.17 82.05 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 176.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG22 HD13 ' A' ' 70' ' ' ILE . 13.8 m -73.06 98.02 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 125.149 1.38 . . . . 0.0 108.359 177.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.3 t70 56.01 26.37 9.9 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.142 0.977 . . . . 0.0 112.52 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.31 -5.35 30.04 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.987 1.28 . . . . 0.0 114.538 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -103.07 117.06 33.74 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 119.366 1.583 . . . . 0.0 108.386 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.765 ' HG2' HG22 ' A' ' 64' ' ' VAL . 28.8 mt-10 -82.5 117.86 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.839 1.256 . . . . 0.0 113.025 -174.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.486 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -118.35 128.85 75.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 12.7 mmtm -86.65 124.4 32.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 C-N-CA 123.223 0.609 . . . . 0.0 110.604 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.486 HG13 HG22 ' A' ' 70' ' ' ILE . 28.2 m -153.76 162.33 2.14 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 C-N-CA 125.008 1.323 . . . . 0.0 112.454 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.41 139.54 23.24 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.568 0.747 . . . . 0.0 109.098 -176.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.61 155.61 7.25 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -166.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -131.94 -43.81 0.97 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.761 0.824 . . . . 0.0 111.776 167.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -146.12 88.94 1.83 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 -173.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.64 HG12 HG23 ' A' ' 89' ' ' ILE . 20.8 m -82.9 135.39 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 158.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.23 114.51 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.577 -2.008 . . . . 0.0 105.577 -177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -78.31 159.8 28.21 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.103 0.561 . . . . 0.0 109.58 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.17 160.5 64.01 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 123.339 0.656 . . . . 0.0 110.653 173.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.01 -18.49 11.38 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.836 2.357 . . . . 0.0 113.321 -172.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -144.92 -39.68 0.26 Allowed 'General case' 0 C--N 1.346 0.418 0 CA-C-N 119.098 0.863 . . . . 0.0 112.22 173.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -75.48 156.42 85.2 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.236 1.014 . . . . 0.0 109.936 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -80.11 66.15 8.83 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.717 2.944 . . . . 0.0 109.872 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -137.27 -169.29 2.47 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.052 1.341 . . . . 0.0 109.97 -174.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 9.0 mt -129.76 142.51 50.68 Favored 'General case' 0 C--N 1.339 0.11 0 C-N-CA 126.528 1.931 . . . . 0.0 108.206 -176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.53 -34.0 12.84 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.37 1.068 . . . . 0.0 110.841 172.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -175.2 157.03 2.18 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.971 1.309 . . . . 0.0 109.45 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 92.1 mt -144.43 148.79 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -124.47 160.31 28.55 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.714 164.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.44 145.91 52.01 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 171.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -94.27 147.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.105 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 174.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -57.26 96.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.828 2.051 . . . . 0.0 110.311 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.341 168.472 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.682 0 C5'-C4'-C3' 111.768 -2.488 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . 0.41 " H3'" H5'' ' B' ' 269' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.362 1 C4'-C3'-O3' 121.845 4.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . 0.41 H5'' " H3'" ' B' ' 268' ' ' ' G' . . . . . . . . 0 P--O5' 1.622 2.86 2 O5'-C5'-C4' 119.132 6.38 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 1 O4'-C1'-N19 113.066 4.866 . 0.539 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.731 1 O4'-C1'-N19 114.74 6.54 . 0.563 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 C5'-C4'-O4' 112.719 2.514 . 0.626 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 0 O4'-C1'-N19 110.833 2.633 . 0.372 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.515 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.411 -3.473 1 O4'-C1'-N19 112.709 4.509 . 0.038 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.5 2 P-O3'-C3' 125.928 5.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.417 0 N19-C1'-C2' 107.356 -3.777 . 0.362 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 1 O4'-C1'-N19 112.338 4.138 . 0.545 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 O4'-C1'-N19 111.58 3.38 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.585 3.385 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 1 O4'-C1'-N19 114.201 6.001 . 0.61 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C5'-C4'-C3' 110.39 -3.407 . 0.07 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 O4'-C1'-N19 112.049 3.849 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 1 O4'-C1'-N19 112.462 4.262 . 0.671 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 110.525 2.325 . 0.529 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . 0.407 " H3'" H5'' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.01 1 O4'-C1'-N19 112.582 4.382 . 0.493 1z . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . 0.407 H5'' " H3'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.72 1 O4'-C1'-N19 112.296 4.096 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.943 2 P-O3'-C3' 126.654 5.795 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.909 2 O4'-C1'-N19 113.22 5.02 . 0.018 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 O4'-C1'-N19 111.973 3.773 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 1 O4'-C1'-N19 113.979 5.779 . 0.893 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.434 -2.71 OUTLIER-DELTA 0.01 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 1 O4'-C1'-N19 112.794 4.594 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.927 0 C5'-C4'-O4' 113.142 2.816 . 0.438 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 O4'-C1'-N19 111.741 3.541 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 O4'-C1'-N19 111.488 3.288 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.806 0 O4'-C1'-N19 111.969 3.769 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 1 O4'-C1'-N19 112.515 4.315 . 0.406 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.779 1 O4'-C1'-N19 112.366 4.166 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . 0.43 " O2'" ' HA3' ' A' ' 32' ' ' GLY . . . . . . . . 0 O4'--C4' 1.42 -2.737 1 C4'-C3'-C2' 97.769 -4.931 . 0.863 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 O4'-C1'-N19 111.308 3.108 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 P-O3'-C3' 122.806 2.589 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 112.2 4.0 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.871 1 O4'-C1'-N19 112.432 4.232 . 0.862 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ptm . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.06 -78.53 0.02 OUTLIER 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.96 1.304 . . . . 0.0 110.618 174.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m 57.82 103.54 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.737 2.415 . . . . 0.0 114.209 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.454 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -106.22 85.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 123.91 0.884 . . . . 0.0 109.126 -170.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.503 HD22 ' HB ' ' A' ' 64' ' ' VAL . 3.1 m120 -59.64 120.23 9.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.738 0.815 . . . . 0.0 109.522 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.15 -161.66 1.1 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.058 1.343 . . . . 0.0 108.597 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -155.23 143.72 20.42 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.816 2.046 . . . . 0.0 105.699 165.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -64.59 142.42 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.875 -0.516 . . . . 0.0 110.75 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -136.46 155.39 50.07 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.927 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.9 mmpt? -134.91 -1.97 2.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.351 1.46 . . . . 0.0 112.904 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -69.72 14.13 0.12 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 127.478 2.311 . . . . 0.0 114.49 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.99 -39.47 19.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -166.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -51.8 3.84 0.01 OUTLIER Glycine 0 CA--C 1.54 1.606 0 C-N-CA 128.723 3.059 . . . . 0.0 119.696 -166.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HG3' ' H41' ' B' ' 297' ' ' ' C' . 0.9 OUTLIER 139.71 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.559 1 C-N-CA 136.445 5.898 . . . . 0.0 108.405 172.27 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.98 -53.09 10.87 Favored Glycine 0 C--N 1.344 0.991 0 C-N-CA 125.831 1.682 . . . . 0.0 112.392 -177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.69 -52.33 52.33 Favored 'General case' 0 C--O 1.224 -0.263 0 C-N-CA 124.43 1.092 . . . . 0.0 111.066 174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.2 m -59.3 -21.89 60.38 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.122 0.569 . . . . 0.0 112.257 -166.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -34.07 13.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.519 175.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -66.95 -35.28 79.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 122.205 2.275 . . . . 0.0 110.431 173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -56.59 16.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.101 0.961 . . . . 0.0 108.588 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -56.78 -28.07 60.71 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.842 0.857 . . . . 0.0 113.033 171.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 -12.13 59.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.56 -86.97 0.4 Allowed 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 165.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.83 9.46 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.391 1.877 . . . . 0.0 111.715 -177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -91.68 176.07 6.67 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.867 1.667 . . . . 0.0 108.666 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 4.1 p90 -159.64 153.34 19.2 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 174.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -76.55 158.83 36.01 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.228 1.285 . . . . 0.0 112.703 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.61 177.98 7.65 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.387 1.075 . . . . 0.0 110.071 165.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.673 HD11 ' HB2' ' A' ' 37' ' ' PRO . 11.1 tp -132.87 148.45 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.163 1.385 . . . . 0.0 109.948 171.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.929 HD11 HG13 ' A' ' 63' ' ' ILE . 38.6 mt -116.74 80.21 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.46 0 N-CA-C 105.352 -2.092 . . . . 0.0 105.352 175.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -94.96 -165.98 1.39 Allowed 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 113.198 -1.819 . . . . 0.0 110.03 -172.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.68 53.86 14.59 Favored Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 165.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.34 -102.76 2.67 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -177.13 -38.27 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.902 1.681 . . . . 0.0 109.844 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -87.59 -71.23 0.58 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . . . -170.74 167.55 4.28 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.767 1.227 . . . . 0.0 112.285 173.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB2' HD11 ' A' ' 29' ' ' ILE . 87.7 Cg_exo -72.88 -166.03 0.27 Allowed 'Trans proline' 0 C--N 1.352 0.726 1 C-N-CA 126.109 4.539 . . . . 0.0 117.82 -178.043 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 tp -155.52 104.83 2.4 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 125.856 1.662 . . . . 0.0 108.959 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.48 139.13 45.54 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.473 -0.767 . . . . 0.0 110.269 176.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.77 141.14 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 125.576 1.55 . . . . 0.0 107.449 -179.382 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -92.2 115.59 28.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 128.241 2.616 . . . . 0.0 108.862 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -133.44 167.46 20.39 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.411 0.624 . . . . 0.0 112.296 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.14 130.73 38.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.378 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -64.46 -51.69 61.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 123.946 0.779 . . . . 0.0 110.476 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.21 -34.96 75.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.149 0.431 . . . . 0.0 111.582 -172.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -62.42 -75.28 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 4.5 p -55.86 -26.24 20.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -170.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 tpp -51.43 -63.02 1.27 Allowed 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 125.11 1.364 . . . . 0.0 109.557 170.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.51 -16.75 40.14 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.5 mmt -82.3 -67.51 0.78 Allowed 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.61 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.0 -8.51 3.27 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.633 1.106 . . . . 0.0 113.661 176.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.34 -7.99 22.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-O 117.18 -1.391 . . . . 0.0 111.077 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.81 158.69 38.74 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.441 1.473 . . . . 0.0 110.837 170.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.53 -24.56 61.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -58.32 -19.55 35.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.525 1.93 . . . . 0.0 111.57 173.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.61 ' CE2' ' HB3' ' A' ' 51' ' ' GLN . 57.1 t80 -70.89 -51.73 24.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 120.989 -1.069 . . . . 0.0 111.882 176.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -80.24 -29.34 38.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.608 -1.178 . . . . 0.0 111.319 -175.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -78.18 -37.43 45.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 110.814 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.6 126.88 47.42 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -168.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -52.41 148.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 125.559 1.544 . . . . 0.0 113.447 -169.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 15.2 mt -114.91 155.53 26.7 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.45 1.5 . . . . 0.0 108.527 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.1 m -112.69 97.45 6.58 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 119.141 0.882 . . . . 0.0 109.997 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.929 HG13 HD11 ' A' ' 30' ' ' ILE . 3.8 mm -74.18 111.5 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 O-C-N 120.939 -1.101 . . . . 0.0 108.918 177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' HD22 ' A' ' 5' ' ' ASN . 41.3 t -93.26 84.84 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG22 HD13 ' A' ' 70' ' ' ILE . 17.2 m -76.09 97.64 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 125.627 1.571 . . . . 0.0 107.492 -178.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.99 29.15 15.9 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.069 0.548 . . . . 0.0 111.968 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.96 -4.13 45.39 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-O 118.468 -1.185 . . . . 0.0 114.271 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 125.23 48.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 119.321 1.56 . . . . 0.0 109.26 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.6 109.28 21.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.193 0.997 . . . . 0.0 110.96 -161.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.533 HG22 HG13 ' A' ' 72' ' ' VAL . 1.9 mp -112.95 126.85 70.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -168.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -85.97 124.52 32.52 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 123.053 0.541 . . . . 0.0 109.901 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 70' ' ' ILE . 32.9 m -150.33 159.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 O-C-N 124.323 1.014 . . . . 0.0 113.201 177.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -131.47 132.31 44.17 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 123.668 0.787 . . . . 0.0 109.616 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -67.49 133.14 48.95 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 124.193 0.933 . . . . 0.0 110.835 -176.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -132.02 -18.61 2.63 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.132 0.973 . . . . 0.0 112.424 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -151.62 94.39 1.99 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 HG23 ' A' ' 89' ' ' ILE . 34.6 m -88.64 135.71 25.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 161.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.44 172.89 8.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.052 1.741 . . . . 0.0 107.548 170.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 164.97 31.88 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.073 0.949 . . . . 0.0 109.773 -172.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.7 164.28 32.44 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.108 159.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -87.78 -16.07 3.07 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.628 2.885 . . . . 0.0 113.657 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -134.61 -6.77 2.5 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.971 1.309 . . . . 0.0 112.648 -170.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -144.99 166.75 16.79 Favored Pre-proline 0 CA--C 1.537 0.467 0 C-N-CA 128.431 2.692 . . . . 0.0 106.03 166.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -78.26 10.72 2.61 Favored 'Trans proline' 0 CA--C 1.545 1.05 0 CA-C-N 120.923 1.365 . . . . 0.0 112.825 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -53.53 99.57 0.03 OUTLIER 'General case' 0 C--N 1.349 0.549 0 C-N-CA 127.544 2.337 . . . . 0.0 112.085 -168.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.752 HD13 HD11 ' A' ' 89' ' ' ILE . 14.7 mt -62.73 108.96 1.27 Allowed 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 127.071 2.148 . . . . 0.0 108.281 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -75.66 -24.99 56.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.741 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -174.66 157.47 2.55 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.169 0.988 . . . . 0.0 110.888 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.752 HD11 HD13 ' A' ' 86' ' ' LEU . 81.4 mt -146.46 150.29 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.35 1.46 . . . . 0.0 108.107 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 m-20 -131.04 126.56 36.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 125.897 1.679 . . . . 0.0 107.539 -177.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -123.55 132.06 53.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.389 1.076 . . . . 0.0 108.82 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.2 m -82.58 157.21 3.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.989 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -67.96 90.14 0.3 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.951 0.901 . . . . 0.0 109.812 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.63 -0.7 . . . . 0.0 112.187 173.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 C4'-C3'-C2' 100.916 -1.784 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.79 0 C4'-C3'-C2' 99.848 -2.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 0 O4'-C1'-N19 111.385 3.185 . 0.364 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 113.064 4.864 . 0.561 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 O4'-C1'-N19 114.349 6.149 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 C5'-C4'-O4' 112.428 2.305 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 111.051 2.851 . 0.344 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.476 " H1'" ' HG2' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.424 1 O4'-C1'-N19 113.511 5.311 . 0.029 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 2 C4'-C3'-C2' 97.366 -5.334 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 2 N19-C1'-C2' 106.89 -4.069 . 0.372 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 2 O4'-C1'-N19 113.349 5.149 . 0.107 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . 0.422 ' C2 ' ' C4 ' ' B' ' 299' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 O4'-C1'-N19 111.184 2.984 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . 0.42 " H1'" ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 O4'-C1'-N19 111.44 3.24 . 0.488 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 O4'-C1'-N19 113.975 5.775 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C5'-C4'-C3' 110.429 -3.381 . 0.018 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 1 O4'-C1'-N19 112.275 4.075 . 0.194 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 112.295 4.095 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.395 1 O4'-C1'-N19 113.782 5.582 . 0.029 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . 0.463 " H2'" ' C5 ' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.747 1 O4'-C1'-N19 114.678 6.478 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . 0.463 ' C5 ' " H2'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.787 1 O5'-C5'-C4' 117.133 4.952 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 P-O3'-C3' 123.901 3.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 1 O4'-C1'-N19 113.999 5.799 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 112.096 3.896 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 1 O4'-C1'-N19 114.415 6.215 . 0.537 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 0 C1'-O4'-C4' 112.193 2.881 . 0.039 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.515 ' H41' ' HG3' ' A' ' 14' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.843 1 O4'-C1'-N19 112.694 4.494 . 0.425 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 C4'-C3'-C2' 99.362 -3.338 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . 0.422 ' C4 ' ' C2 ' ' B' ' 278' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O3'-P-O5' 97.973 -3.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 1 O4'-C1'-N19 112.225 4.025 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.924 3.724 . 0.403 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.631 1 O4'-C1'-N19 113.012 4.812 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 1 O4'-C1'-N19 112.671 4.471 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 0 C4'-C3'-C2' 99.589 -3.111 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.036 1 O4'-C1'-N19 112.483 4.283 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.943 2.743 . 0.717 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . 0.499 " H2'" ' C6 ' ' B' ' 308' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.418 1 O4'-C1'-N19 114.533 6.333 OUTLIER-EPSILON 0.529 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . 0.499 ' C6 ' " H2'" ' B' ' 307' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.918 4 P-O3'-C3' 126.245 5.454 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 5.2 tpt . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -61.33 -62.44 1.83 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.469 1.108 . . . . 0.0 110.522 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 63.26 98.5 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.235 2.214 . . . . 0.0 114.154 168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.56 84.16 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -167.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.11 109.27 0.72 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.54 -161.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 107.41 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.54 138.27 11.96 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' HA ' HG22 ' A' ' 40' ' ' ILE . 4.0 m -62.45 132.62 28.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.614 -0.679 . . . . 0.0 110.607 -177.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 HH11 ' HB1' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -131.72 150.1 52.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.043 179.366 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.7 mmpt? -137.09 -3.54 1.98 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.372 1.869 . . . . 0.0 113.186 173.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.45 14.07 0.06 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.723 2.409 . . . . 0.0 115.039 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.22 -53.55 8.1 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.898 1.279 . . . . 0.0 114.099 -164.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -5.21 -71.41 0.01 OUTLIER Glycine 0 CA--C 1.532 1.129 0 C-N-CA 130.146 3.736 . . . . 0.0 114.38 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -163.87 -11.85 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.019 0.928 . . . . 0.0 110.517 158.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.54 -29.99 75.71 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 125.025 1.297 . . . . 0.0 113.061 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.24 -45.83 53.67 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.68 -0.894 . . . . 0.0 110.746 167.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -60.28 -22.28 62.93 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -87.52 -40.08 14.6 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 127.523 2.329 . . . . 0.0 112.09 173.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.74 -34.79 76.19 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 122.015 2.189 . . . . 0.0 111.047 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -54.31 10.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.934 -1.031 . . . . 0.0 109.27 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -59.25 -28.56 66.82 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.804 0.729 . . . . 0.0 112.302 173.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.95 -15.4 61.12 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.01 17.22 10.88 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.94 1.296 . . . . 0.0 112.326 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 64.43 13.35 8.05 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' A' ' 41' ' ' GLU . 10.7 mtmm -91.95 175.83 6.73 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.806 1.642 . . . . 0.0 107.463 171.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CE1' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -160.49 152.81 17.18 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -71.95 155.58 57.37 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.814 1.676 . . . . 0.0 112.874 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.16 178.48 7.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.676 1.191 . . . . 0.0 110.442 163.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.3 tp -136.91 159.48 36.98 Favored 'Isoleucine or valine' 0 C--N 1.338 0.106 0 C-N-CA 124.538 1.135 . . . . 0.0 109.822 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.71 94.26 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.9 -174.37 2.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -165.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 24.68 59.04 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.366 161.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.79 -99.34 0.35 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.18 -35.71 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 126.316 1.846 . . . . 0.0 109.607 171.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.03 -47.88 48.52 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.8 1.24 . . . . 0.0 110.307 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 161.7 166.25 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 128.109 2.564 . . . . 0.0 109.282 -160.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 0.9 OUTLIER -94.66 -161.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.541 0.836 1 C-N-CA 125.346 4.031 . . . . 0.0 111.553 177.003 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 tp -160.2 105.65 1.52 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 124.491 1.116 . . . . 0.0 109.753 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' HH11 ' A' ' 9' ' ' ARG . . . -78.39 137.24 37.91 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.745 -0.597 . . . . 0.0 109.408 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -142.86 123.94 11.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.753 1.621 . . . . 0.0 108.045 -170.137 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG3' ' HE2' ' A' ' 25' ' ' LYS . 11.6 tt0 -79.89 113.0 17.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 129.563 3.145 . . . . 0.0 108.76 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.05 166.67 17.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.528 0.68 . . . . 0.0 111.463 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.33 138.2 40.33 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.855 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.44 -52.09 13.04 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.915 -177.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -23.08 62.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.736 0.698 . . . . 0.0 111.274 -171.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -56.91 -78.1 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.194 1.798 . . . . 0.0 107.657 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG11 ' CE1' ' A' ' 26' ' ' PHE . 2.7 p -57.6 -26.11 26.31 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 119.937 1.244 . . . . 0.0 114.011 -170.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -58.58 6.25 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 125.31 1.444 . . . . 0.0 108.735 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.21 -23.01 63.69 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 mmt -81.62 -67.25 0.8 Allowed 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.04 -17.93 3.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.179 2.192 . . . . 0.0 112.803 174.084 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.95 -3.85 14.43 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 125.675 1.59 . . . . 0.0 112.574 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.56 156.7 38.69 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 119.983 1.265 . . . . 0.0 109.865 164.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 -21.97 59.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.239 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.81 -19.06 37.8 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 111.779 172.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 51' ' ' GLN . 64.2 t80 -69.98 -54.98 10.82 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 121.053 -1.029 . . . . 0.0 111.791 177.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -77.24 -32.9 56.09 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.687 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -73.24 -40.17 64.87 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.619 1.168 . . . . 0.0 110.526 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.49 119.25 28.6 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -166.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 p -48.69 145.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 126.281 1.832 . . . . 0.0 112.858 -167.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 44.8 mt -107.53 154.67 21.05 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 125.844 1.658 . . . . 0.0 108.19 -177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.8 m -111.84 88.07 2.71 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD13 ' CG2' ' A' ' 72' ' ' VAL . 1.2 mp -70.14 110.59 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 O-C-N 120.798 -1.189 . . . . 0.0 110.359 173.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.2 t -93.03 86.49 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 C-N-CA 125.55 1.54 . . . . 0.0 107.438 -176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 40' ' ' ILE . 5.0 m -75.75 95.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 126.489 1.915 . . . . 0.0 107.76 -177.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 57.25 26.21 12.01 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.844 0.857 . . . . 0.0 112.423 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.01 -6.69 30.9 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.982 1.277 . . . . 0.0 114.456 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -99.29 124.71 44.59 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 119.122 1.461 . . . . 0.0 108.569 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -98.69 110.29 22.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.033 0.533 . . . . 0.0 111.005 -161.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.446 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.11 127.26 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.408 0.683 . . . . 0.0 109.185 -169.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -85.61 123.34 30.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.194 0.998 . . . . 0.0 110.672 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' CG2' HD13 ' A' ' 63' ' ' ILE . 26.9 m -152.24 159.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 125.036 1.334 . . . . 0.0 113.299 178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -132.29 136.75 47.13 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.383 1.073 . . . . 0.0 110.74 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.64 137.02 57.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 123.831 0.707 . . . . 0.0 112.415 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.19 -32.22 3.0 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.961 0.788 . . . . 0.0 112.565 -178.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 96.24 2.49 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 126.389 1.876 . . . . 0.0 106.561 174.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 89' ' ' ILE . 30.4 m -82.93 145.66 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 158.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -124.31 115.61 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 126.488 1.915 . . . . 0.0 105.939 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -74.77 165.07 25.83 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.021 0.529 . . . . 0.0 110.538 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.76 160.27 69.66 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.339 0.656 . . . . 0.0 110.761 169.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -81.5 -7.04 12.74 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.19 2.593 . . . . 0.0 113.67 -172.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -146.73 -57.79 0.28 Allowed 'General case' 0 C--N 1.346 0.43 0 CA-C-N 119.606 1.093 . . . . 0.0 111.825 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 83' ' ' LYS . 16.5 ptmt -77.0 158.21 80.46 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 126.051 1.74 . . . . 0.0 109.524 176.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.5 18.54 0.69 Allowed 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.783 2.989 . . . . 0.0 114.552 -170.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.411 ' HG3' ' HE2' ' A' ' 83' ' ' LYS . 70.3 mmtt -77.56 -164.07 0.45 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.057 1.743 . . . . 0.0 111.178 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.693 HD13 HD11 ' A' ' 89' ' ' ILE . 7.4 mt -128.79 139.15 52.32 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.984 2.114 . . . . 0.0 108.06 -178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.1 -36.98 16.6 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.276 1.03 . . . . 0.0 110.632 170.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -173.15 156.74 3.28 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 124.452 1.101 . . . . 0.0 109.319 -169.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.693 HD11 HD13 ' A' ' 86' ' ' LEU . 83.3 mt -145.78 149.03 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -119.94 161.33 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.602 164.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.58 157.27 43.16 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 165.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.49 150.96 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -58.45 91.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.792 2.037 . . . . 0.0 110.753 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 C-N-CA 124.043 0.937 . . . . 0.0 111.438 169.326 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 1 O4'-C1'-N19 113.45 5.25 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 0 O4'-C1'-N19 110.529 2.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.934 0 O4'-C1'-N19 111.324 3.124 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.972 1 O4'-C1'-N19 113.242 5.042 . 0.586 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 1 O4'-C1'-N19 114.558 6.358 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C5'-C4'-O4' 113.095 2.782 . 0.545 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 P-O3'-C3' 124.697 4.165 . 0.121 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.531 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.41 -3.602 1 O4'-C1'-N19 112.544 4.344 . 0.453 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 P-O3'-C3' 126.496 5.663 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.426 0 N19-C1'-C2' 107.526 -3.671 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 2 O4'-C1'-N19 112.57 4.37 . 0.891 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 0 O4'-C1'-N19 111.386 3.186 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.187 2.987 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 O4'-C1'-N19 114.059 5.859 . 0.657 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C5'-C4'-C3' 110.141 -3.573 . 0.01 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.816 1 O4'-C1'-N19 112.465 4.265 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 1 O4'-C1'-N19 114.037 5.837 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 O5'-C5'-C4' 114.33 2.95 . 0.611 1g . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.149 2 O4'-C1'-N19 112.666 4.466 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 O4'-C1'-N19 112.153 3.953 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.345 3 P-O3'-C3' 127.352 6.377 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 1 O4'-C1'-N19 112.916 4.716 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C1'-N19 111.937 3.737 . 0.439 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 1 O4'-C1'-N19 113.662 5.462 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 C5'-C4'-C3' 110.279 -3.481 . 0.2 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.743 1 O4'-C1'-N19 113.044 4.844 . 0.097 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 C5'-C4'-O4' 113.262 2.901 . 0.199 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.799 0 O4'-C1'-N19 112.004 3.804 OUTLIER-DELTA 0.116 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.944 0 O4'-C1'-N19 111.845 3.645 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 112.14 3.94 . 0.369 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-N19 112.067 3.867 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 O4'-C1'-N19 112.016 3.816 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 C4'-C3'-C2' 98.337 -4.363 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.834 0 O4'-C1'-N19 112.164 3.964 . 0.086 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 P-O3'-C3' 122.613 2.428 . 0.434 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 112.015 3.815 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 O4'-C1'-N19 111.347 3.147 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CE ' ' HE3' ' A' ' 71' ' ' LYS . 3.5 ptm . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.675 0.274 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 47.61 42.91 15.77 Favored 'General case' 0 CA--C 1.554 1.125 0 O-C-N 120.103 -1.623 . . . . 0.0 110.829 -162.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.406 HG23 ' HB ' ' A' ' 62' ' ' THR . 10.1 m -81.3 129.39 34.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 128.059 2.543 . . . . 0.0 108.578 174.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -125.85 77.91 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -170.402 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 64' ' ' VAL . 1.2 m120 -56.88 109.61 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.693 1.197 . . . . 0.0 108.648 -175.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.34 -162.34 0.8 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.12 1.368 . . . . 0.0 107.398 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -151.56 147.09 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 104.389 -2.448 . . . . 0.0 104.389 164.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 m -65.86 144.22 14.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.433 0.635 . . . . 0.0 110.467 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -136.28 153.97 51.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.933 174.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.6 mmpt? -135.97 1.83 2.78 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.431 1.492 . . . . 0.0 112.256 166.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 10.36 0.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.813 2.445 . . . . 0.0 114.798 -178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.59 -56.53 5.05 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.72 1.608 . . . . 0.0 113.939 -159.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -16.2 -66.1 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.285 3.326 . . . . 0.0 114.351 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HB2' ' H41' ' B' ' 297' ' ' ' C' . 0.1 OUTLIER -157.52 -11.06 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.013 -0.994 . . . . 0.0 112.816 158.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.3 -27.34 69.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.558 1.075 . . . . 0.0 112.966 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -79.51 -56.6 4.2 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 123.857 0.863 . . . . 0.0 111.238 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.5 m -63.84 -17.31 63.01 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.322 -0.861 . . . . 0.0 112.433 -170.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -76.53 -52.73 9.2 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.253 167.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -65.94 -41.06 91.8 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 121.06 1.755 . . . . 0.0 109.671 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -59.82 -61.6 2.49 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 124.854 1.261 . . . . 0.0 111.335 176.066 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -24.16 67.65 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-N 119.217 0.917 . . . . 0.0 112.091 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 -16.16 61.45 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.6 18.67 8.06 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 125.546 1.538 . . . . 0.0 112.478 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 66.01 9.34 6.1 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -85.61 176.49 8.16 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.529 1.132 . . . . 0.0 108.392 167.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 2.0 p90 -158.4 152.9 20.46 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -71.91 156.43 56.47 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 121.904 1.736 . . . . 0.0 113.047 -175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.75 -178.73 5.55 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 124.715 1.206 . . . . 0.0 110.581 162.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.7 tp -136.94 157.36 35.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.189 0 C-N-CA 124.574 1.15 . . . . 0.0 110.114 171.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.808 HD11 HG13 ' A' ' 63' ' ' ILE . 56.8 mt -125.2 86.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 37' ' ' PRO . 5.2 p90 -93.29 -179.48 5.08 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.975 0.51 . . . . 0.0 112.323 177.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.02 -3.86 0.08 OUTLIER Glycine 0 N--CA 1.47 0.906 0 N-CA-C 116.623 1.409 . . . . 0.0 116.623 -172.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 39.14 72.29 0.22 Allowed Glycine 0 CA--C 1.532 1.123 0 C-N-CA 127.745 2.593 . . . . 0.0 115.35 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -146.7 -46.07 0.18 Allowed 'General case' 0 C--N 1.342 0.257 0 C-N-CA 125.313 1.445 . . . . 0.0 111.603 163.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -119.02 8.4 11.6 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.711 1.204 . . . . 0.0 111.765 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 66.66 164.92 0.12 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 126.073 1.749 . . . . 0.0 110.107 -158.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' HG3' " H1'" ' B' ' 274' ' ' ' U' . 9.1 Cg_endo -92.47 -169.11 0.24 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.088 2.525 . . . . 0.0 112.19 -165.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tp -148.81 101.77 3.22 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 123.005 0.522 . . . . 0.0 110.016 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.74 135.33 46.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 30' ' ' ILE . 0.2 OUTLIER -134.78 138.72 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 -177.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -85.56 115.96 23.58 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.071 2.149 . . . . 0.0 109.389 169.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -130.91 166.44 20.91 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.333 0.653 . . . . 0.0 111.201 176.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.86 131.44 40.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.506 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -66.71 -48.8 68.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.713 0.633 . . . . 0.0 109.616 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.38 -31.1 70.23 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.52 0.6 . . . . 0.0 111.181 -171.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' ILE . 22.6 ttmt -58.85 -76.76 0.04 OUTLIER 'General case' 0 C--N 1.348 0.527 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 165.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 1.9 p -56.65 -26.72 24.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.44 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -166.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.95 -60.24 3.29 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.799 1.639 . . . . 0.0 108.794 171.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.09 -22.87 63.3 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 5.2 mmm -83.01 -66.16 0.92 Allowed 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -173.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -54.67 -18.08 4.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.11 2.164 . . . . 0.0 112.687 173.332 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.86 -2.85 13.44 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.468 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.65 158.11 37.2 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.799 1.636 . . . . 0.0 110.296 163.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.24 -20.67 62.21 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.381 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.04 -18.16 32.19 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.221 1.408 . . . . 0.0 112.029 171.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 61' ' ' LEU . 73.1 t80 -74.23 -53.37 9.93 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 120.98 -1.075 . . . . 0.0 112.05 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -78.64 -27.09 45.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.044 -176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -77.27 -48.9 16.25 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.917 1.287 . . . . 0.0 110.373 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.22 126.86 54.19 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -165.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.29 143.18 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.135 1.374 . . . . 0.0 112.436 -167.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 56' ' ' PHE . 24.9 mt -105.72 147.98 27.95 Favored 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 125.459 1.504 . . . . 0.0 108.088 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.406 ' HB ' HG23 ' A' ' 3' ' ' THR . 16.5 m -106.98 100.56 10.05 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.808 HG13 HD11 ' A' ' 30' ' ' ILE . 3.5 mm -79.35 108.15 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 O-C-N 121.207 -0.933 . . . . 0.0 108.731 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.525 ' HB ' HD22 ' A' ' 5' ' ' ASN . 45.3 t -93.27 83.44 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 70' ' ' ILE . 16.0 m -72.77 94.83 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 125.558 1.543 . . . . 0.0 108.185 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 56.16 26.09 9.86 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.11 0.964 . . . . 0.0 112.443 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.73 -9.31 25.76 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.853 1.216 . . . . 0.0 114.531 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -97.2 123.29 40.93 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 119.286 1.543 . . . . 0.0 108.544 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -96.93 111.71 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.442 0.697 . . . . 0.0 111.17 -164.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 HG22 HG13 ' A' ' 72' ' ' VAL . 2.0 mp -115.69 124.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -170.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HE3' ' CE ' ' A' ' 1' ' ' MET . 9.8 mmtm -86.02 125.51 33.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 111.045 177.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 70' ' ' ILE . 22.7 m -152.72 159.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 C-N-CA 124.656 1.182 . . . . 0.0 112.761 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -132.0 135.9 46.89 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.139 0.976 . . . . 0.0 109.642 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.03 136.04 54.64 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 123.939 0.775 . . . . 0.0 111.523 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -118.66 -40.53 2.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.317 1.047 . . . . 0.0 110.863 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -151.8 98.55 2.48 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.553 HG12 HG23 ' A' ' 89' ' ' ILE . 35.2 m -76.88 145.55 10.07 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 161.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -119.03 111.28 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -78.99 164.04 24.71 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.945 0.898 . . . . 0.0 110.243 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 160.78 77.78 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 123.001 0.52 . . . . 0.0 111.546 169.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -84.65 -11.1 8.21 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.441 2.76 . . . . 0.0 113.99 -172.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -137.9 -56.25 0.67 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 120.258 1.39 . . . . 0.0 110.966 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -81.8 162.63 57.02 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.373 1.469 . . . . 0.0 109.966 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -79.38 19.48 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 123.645 2.897 . . . . 0.0 113.814 -172.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -75.13 -169.98 1.05 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.496 1.518 . . . . 0.0 111.061 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 89' ' ' ILE . 11.0 mt -122.94 148.25 45.69 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.522 1.929 . . . . 0.0 108.07 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -101.81 -31.86 10.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.926 1.29 . . . . 0.0 110.995 170.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -175.73 158.99 2.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 125.157 1.383 . . . . 0.0 109.058 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.64 HD11 HD13 ' A' ' 86' ' ' LEU . 87.6 mt -145.23 150.39 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -123.27 156.28 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.712 0.805 . . . . 0.0 108.845 167.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -132.53 150.57 52.14 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 125.521 1.529 . . . . 0.0 107.198 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 m -102.54 148.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -57.1 95.22 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.433 1.493 . . . . 0.0 110.262 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 72' ' ' VAL . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 116.313 -1.803 . . . . 0.0 111.799 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 267' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.786 1 O4'-C1'-N19 114.336 6.136 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 268' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.93 0 P-O3'-C3' 122.58 2.4 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 269' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.904 2.704 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 270' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 113.543 5.343 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 271' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 1 O4'-C1'-N19 116.255 8.055 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 272' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 2 O5'-C5'-C4' 117.195 4.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 273' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 P-O3'-C3' 124.426 3.938 . 0.01 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 274' ' ' ' U' . . . . . 0.504 " H1'" ' HG3' ' A' ' 37' ' ' PRO . . . . . . . . 0 O4'--C4' 1.412 -3.451 1 O4'-C1'-N19 113.519 5.319 . 0.445 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 275' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 C4'-C3'-C2' 98.51 -4.19 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 276' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.557 0 C3'-C2'-C1' 104.408 3.231 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 277' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 P-O3'-C3' 124.531 4.026 . 0.717 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 278' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 O4'-C1'-N19 111.914 3.714 . 0.644 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 279' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 O4'-C1'-N19 111.91 3.71 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 280' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 1 O4'-C1'-N19 114.656 6.456 . 0.575 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 281' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 C5'-C4'-C3' 109.272 -4.152 . 0.113 1e . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 282' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 O4'-C1'-N19 112.114 3.914 . 0.24 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 283' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 1 O4'-C1'-N19 112.242 4.042 . 0.688 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 284' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.932 0 P-O3'-C3' 122.541 2.368 . 0.628 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 285' ' ' ' U' . . . . . 0.429 " H3'" H5'' ' B' ' 291' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 O4'-C1'-N19 112.038 3.838 . 0.499 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 291' ' ' ' C' . . . . . 0.429 H5'' " H3'" ' B' ' 285' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 O4'-C1'-N19 112.16 3.96 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 292' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 2 P-O3'-C3' 126.655 5.796 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 293' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.691 2 O4'-C1'-N19 112.763 4.563 . 0.051 1L . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 294' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.91 0 O4'-C1'-N19 111.573 3.373 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 295' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 1 O4'-C1'-N19 113.787 5.587 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 296' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C5'-C4'-C3' 110.737 -3.175 . 0.144 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 297' ' ' ' C' . . . . . 0.476 ' H41' ' HB2' ' A' ' 14' ' ' LYS . . . . . . . . 0 P--O5' 1.62 2.716 1 O4'-C1'-N19 113.331 5.131 . 0.028 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 298' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 113.352 2.966 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 299' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C5'-C4'-C3' 110.887 -3.076 . 0.373 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 300' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 O4'-C1'-N19 111.472 3.272 . 0.113 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 301' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.902 0 O4'-C1'-N19 111.888 3.688 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 1 O4'-C1'-N19 112.892 4.692 . 0.413 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.714 4.514 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C4'-C3'-C2' 99.019 -3.681 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 0 O4'-C1'-N19 111.768 3.568 . 0.463 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.586 2.386 . 0.51 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.658 3.458 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 308' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 O4'-C1'-N19 111.495 3.295 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_